5-(methanesulfonyl)-7-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0568 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)SCCNC(C1CCN(c2cc(C)ccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4315 |
| logD: | 3.4315 |
| logSw: | -3.8128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.808 |
| InChI Key: | QPEXUOXYAZGUMZ-HXUWFJFHSA-N |