N-(3-chlorophenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(3-chlorophenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0860 |
| Compound Name: | N-(3-chlorophenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C19 H20 Cl N3 O4 S |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(NCCC(Nc1cccc(c1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.564 |
| logD: | 2.563 |
| logSw: | -3.3177 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.139 |
| InChI Key: | PBACBFDRPUROEE-UHFFFAOYSA-N |