7-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1373 |
| Compound Name: | 7-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 422.93 |
| Molecular Formula: | C20 H23 Cl N2 O4 S |
| Smiles: | CCc1cccc(C)c1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7404 |
| logD: | 3.7404 |
| logSw: | -4.0578 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.249 |
| InChI Key: | JOUHAEVZJVMYOY-GOSISDBHSA-N |