N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0616 |
| Compound Name: | N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(NCc1ccccc1)=O)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5798 |
| logD: | 3.579 |
| logSw: | -3.8474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.36 |
| InChI Key: | HQSWGIYRCKUSFC-XMMPIXPASA-N |