N-[(4-chlorophenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
N-[(4-chlorophenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
Compound characteristics
| Compound ID: | G017-0651 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C21 H24 Cl N3 O4 S |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(NCCCC(NCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0888 |
| logD: | 2.0887 |
| logSw: | -3.1314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.462 |
| InChI Key: | LUUQQKHINRPXSB-UHFFFAOYSA-N |