Molecular Properties | |
SMILES: | O=C(Nc1c(Cl)ncn2nnnc12)C1CCOc2ccc(Cl)cc21 |
MW: | 364.02 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 94.3 |
cLogP: | 2.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
α-Halogen substituted N-heterocycles
4-halopyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
VLA-UCB-1dbca3b4-15
EDJ-MED-97c1bf5c-3
0.747
JAG-UCB-52b62a6f-1
0.640
JAG-UCB-52b62a6f-2
0.640
MAT-POS-b5c94171-1
0.562
MAT-POS-a3f7f96a-2
0.539
ROB-UNI-569bc02e-7
0.537
EDJ-MED-97c1bf5c-4
0.535
RAL-THA-b74298ba-1
0.528
JAG-UCB-52b62a6f-11
0.526
JOH-UNI-16fcdf60-1
0.522
RAL-THA-b74298ba-3
0.516
JAG-UCB-c61058a9-21
0.516
EDG-MED-fe7487f8-9
0.516
JAG-UCB-c61058a9-41
0.516
NAU-LAT-8502cac5-15
0.516
JAG-UCB-119787ef-1
0.516
MAT-POS-968e8d9c-1
0.516
JAG-UCB-a3ef7265-20
0.516
RAL-THA-b74298ba-2
0.516
EDJ-MED-97c1bf5c-5
0.515
RAL-THA-3d7a794f-4
0.511
JAG-UCB-c61058a9-44
0.505
ERI-UCB-9c7ec71b-4
0.505
EDG-MED-fe7487f8-8
0.505
JOH-UNI-d0d90dc1-3
0.505
RAL-THA-b74298ba-4
0.505
NAU-LAT-8502cac5-11
0.500
NAU-LAT-8502cac5-16
0.500
EDJ-MED-51d3200d-2
0.500
RAL-THA-9041a04d-6
0.500
ADA-UCB-dc2b944c-10
0.500
ADA-UCB-dc2b944c-9
0.500
JOH-UNI-f51e3bbc-4
0.500
JOH-UNI-f51e3bbc-3
0.500
RAL-THA-9041a04d-2
0.495
RAL-THA-9041a04d-7
0.495
RAL-THA-04c5403f-2
0.495
MAT-UCB-70f7c0f7-6
0.495
MAT-POS-51833a24-3
0.495
JAG-UCB-c61058a9-22
0.495
RAL-THA-3d7a794f-1
0.495
TAT-ENA-0e28ea53-1
0.495
PET-UNK-3e029fdc-1
0.495
JOH-UNI-1b27fa5e-7
0.495
MAT-POS-8293a91a-1
0.495
NAU-LAT-8502cac5-10
0.495
RAL-THA-9041a04d-4
0.490
ADA-UCB-b1b30a00-7
0.490
ROB-UNI-569bc02e-1
0.490
MAT-POS-a54ce14d-1
0.490
ERI-UCB-a38d41be-1
0.490
EDJ-MED-51d3200d-3
0.490
JOH-SUS-a69c159d-6
0.490
NAU-LAT-8502cac5-12
0.489
MAT-POS-1f3c8e6f-1
0.489
JAG-UCB-c61058a9-6
0.489
EDJ-MED-51d3200d-1
0.485
JOH-UNI-1b27fa5e-4
0.485
RAL-THA-9041a04d-5
0.485
RAL-THA-04c5403f-1
0.485
JAG-UCB-52b62a6f-17
0.485
RAL-THA-3d7a794f-2
0.484
RAL-THA-3d7a794f-3
0.484
JAG-UCB-c61058a9-2
0.484
EDJ-MED-51d3200d-4
0.484
ROB-UNI-569bc02e-3
0.484
MAT-POS-500f4700-1
0.484
JOH-UNI-1b27fa5e-6
0.484
BRU-CON-c4e3408a-1
0.484
DAR-DIA-6a508060-6
0.484
JAN-GHE-f4ca5a00-13
0.484
VLA-UCB-53bdeed6-2
0.484
MAT-POS-b3e365b9-4
0.484
MAT-POS-b3e365b9-3
0.484
NAU-LAT-b7d8c353-7
0.484
PET-UNK-158bee2a-7
0.484
RAL-THA-9041a04d-3
0.480
MIC-UNK-deda7a44-6
0.479
MAT-POS-a2421bb6-4
0.479
JAG-UCB-c61058a9-9
0.479
MAT-POS-7ddaf7de-4
0.479
BEN-DND-b89db3f2-2
0.478
NAU-LAT-b7d8c353-4
0.478
RAL-THA-9041a04d-1
0.475
JAG-UCB-52b62a6f-14
0.475
JAG-UCB-c61058a9-32
0.475
BEN-DND-02317c5c-3
0.474
ROB-UNI-569bc02e-6
0.474
MAT-POS-51833a24-1
0.474
LON-WEI-0a73fcb8-6
0.474
ERI-UCB-9c7ec71b-2
0.474
EDJ-MED-e9694d2b-1
0.474
JAN-GHE-f4ca5a00-22
0.474
MAK-UNK-919546f0-1
0.474
MAK-UNK-f481d203-2
0.474
LON-WEI-0a73fcb8-7
0.474
NAU-LAT-b7d8c353-1
0.474
MAK-UNK-f481d203-1
0.474
JOH-SUS-a69c159d-7
0.470
EDJ-MED-ba7e64f2-3
0.470