N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0569 |
| Compound Name: | N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 454.99 |
| Molecular Formula: | C20 H23 Cl N2 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(NCCSc1ccc(cc1)[Cl])=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6029 |
| logD: | 3.6029 |
| logSw: | -3.9221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.808 |
| InChI Key: | XWOKVQUGQMFYRD-IBGZPJMESA-N |