N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E977-0742 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(C1CCCN(C1)S(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5112 |
| logD: | 2.5111 |
| logSw: | -2.9646 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.126 |
| InChI Key: | AAMZNOZRBLDRKL-KRWDZBQOSA-N |