Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC(=O)NCC#N)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 575.07 |
Fraction sp3: | 0.25 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 166.4 |
cLogP: | 1.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
cyanohydrin
Activated haloaromatics
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-c3ea9889-3
0.814
EDJ-MED-dac03e7f-4
0.804
EDJ-MED-dac03e7f-5
0.776
EDJ-MED-dac03e7f-2
0.769
EDJ-MED-dac03e7f-3
0.755
EDG-MED-b8f93667-6
0.745
EDG-MED-b8f93667-2
0.725
EDG-MED-b8f93667-8
0.722
EDG-MED-b8f93667-4
0.686
EDJ-MED-c3ea9889-2
0.670
EDJ-MED-b2a1399d-2
0.643
EDJ-MED-b2a1399d-1
0.637
EDJ-MED-dac03e7f-8
0.624
EDJ-MED-c3ea9889-1
0.619
EDJ-MED-3bfd841e-1
0.619
PET-UNK-5ad1c31a-5
0.593
LUO-POS-c9faae85-1
0.593
PET-UNK-5ad1c31a-11
0.593
MIK-ENA-d22671f7-1
0.589
MAT-POS-e119ab4f-5
0.589
LUO-POS-868e8996-1
0.589
MIK-ENA-e76e31f3-1
0.589
MIK-ENA-f5fe7855-1
0.589
LUO-POS-868e8996-2
0.589
EDJ-MED-dac03e7f-6
0.588
EDG-MED-b8f93667-5
0.581
EDJ-MED-dac03e7f-7
0.579
EDJ-MED-70ab3faf-2
0.577
MAT-POS-c88128cb-14
0.571
PET-UNK-5ad1c31a-6
0.565
PET-UNK-6e612674-7
0.565
PET-UNK-6e612674-15
0.565
PET-UNK-5ad1c31a-12
0.565
EDG-MED-b8f93667-7
0.563
MAT-POS-c88128cb-6
0.556
MAT-POS-c88128cb-5
0.552
LUO-POS-66f38ea0-1
0.552
EDG-MED-b8f93667-1
0.550
MAT-POS-c88128cb-7
0.542
LUO-POS-3b937086-1
0.538
MAT-POS-c88128cb-8
0.538
EDJ-MED-b2a1399d-4
0.537
MAT-POS-83f73d0a-4
0.535
MAT-POS-c88128cb-9
0.528
PET-UNK-6e612674-3
0.521
PET-UNK-6e612674-11
0.521
EDJ-MED-b2a1399d-3
0.520
MAT-POS-c88128cb-4
0.517
MAT-POS-c88128cb-3
0.517
LUO-POS-e3baa4d7-1
0.517
MAT-POS-c88128cb-10
0.516
EDG-MED-b8f93667-3
0.509
EDJ-MED-211392e3-2
0.504
EDJ-MED-ede277f6-6
0.500
MAT-POS-666635d5-1
0.500
EDJ-MED-c3ea9889-4
0.500
MAT-POS-83f73d0a-3
0.478
PET-UNK-6e612674-8
0.452
PET-UNK-6e612674-16
0.452
EDJ-MED-c3ea9889-5
0.446
PET-UNK-6e612674-6
0.445
PET-UNK-6e612674-14
0.445
PET-UNK-5ad1c31a-3
0.441
PET-UNK-5ad1c31a-9
0.441
EDJ-MED-70ab3faf-3
0.440
EDJ-MED-f9b78f78-1
0.433
MIC-UNK-54748b58-2
0.433
EDJ-MED-93390d0c-2
0.426
PET-UNK-6e612674-4
0.417
PET-UNK-c671f938-7
0.417
PET-UNK-c671f938-3
0.417
PET-UNK-6e612674-12
0.417
EDJ-MED-e69ed63d-8
0.417
MAT-POS-c88128cb-13
0.415
EDJ-MED-7889e8da-6
0.414
EDJ-MED-378a25ea-9
0.414
EDJ-MED-93390d0c-3
0.413
PET-UNK-6e612674-5
0.413
PET-UNK-6e612674-13
0.413
EDG-MED-ee636701-1
0.408
PET-UNK-5ad1c31a-10
0.408
PET-UNK-5ad1c31a-4
0.408
EDJ-MED-ede277f6-12
0.407
PET-UNK-6e612674-2
0.405
PET-UNK-6e612674-10
0.405
EDG-MED-10fcb19e-4
0.405
EDJ-MED-7889e8da-5
0.405
EDJ-MED-0186a59b-3
0.405
EDJ-MED-e69ed63d-12
0.398
EDJ-MED-c99b2211-4
0.398
EDJ-MED-d165ed91-4
0.398
EDJ-MED-41558c53-8
0.398
EDJ-MED-ede277f6-2
0.397
EDJ-MED-e69ed63d-14
0.397
EDJ-MED-e69ed63d-16
0.397
EDJ-MED-c99b2211-3
0.397
MIC-UNK-7f86385f-2
0.397
EDJ-MED-6bf93aa8-1
0.395
EDJ-MED-41558c53-10
0.395
MAT-POS-2e8b2191-12
0.394