N-[2-(azepane-1-carbonyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(azepane-1-carbonyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0504 |
| Compound Name: | N-[2-(azepane-1-carbonyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(N1CCCCCC1)=O)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5471 |
| logD: | 3.5418 |
| logSw: | -3.7818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.926 |
| InChI Key: | XXFSLZBHVFRSQW-HSZRJFAPSA-N |