N-[2-(benzylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(benzylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1322 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 454.99 |
| Molecular Formula: | C20 H23 Cl N2 O4 S2 |
| Smiles: | CS(N1CCC(C(NCCSCc2ccccc2)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0968 |
| logD: | 3.0968 |
| logSw: | -3.6135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.808 |
| InChI Key: | GNWDOQKIXNVPPN-LJQANCHMSA-N |