N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
Compound ID: | E977-0863 |
Compound Name: | N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
Molecular Weight: | 435.93 |
Molecular Formula: | C20 H22 Cl N3 O4 S |
Smiles: | C1CC(Nc2ccc(cc2C1)S(NCCC(NCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1054 |
logD: | 2.1053 |
logSw: | -3.175 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 91.462 |
InChI Key: | ZSKUHMWXMXHFEE-UHFFFAOYSA-N |