7-chloro-5-(methanesulfonyl)-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1323 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C21 H25 Cl N2 O4 S2 |
| Smiles: | Cc1ccc(CSCCNC(C2CCN(c3cc(ccc3O2)[Cl])S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5202 |
| logD: | 3.5202 |
| logSw: | -3.8954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.808 |
| InChI Key: | LFKIGWFUGWXBPZ-HXUWFJFHSA-N |