N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3-phenylpropyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3-phenylpropyl)-beta-alaninamide
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3-phenylpropyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0904 |
| Compound Name: | N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3-phenylpropyl)-beta-alaninamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(NCCC(NCCCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2619 |
| logD: | 2.2618 |
| logSw: | -2.9863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.303 |
| InChI Key: | XYBYHHZHNOFQFF-UHFFFAOYSA-N |