N-(4-chloro-2,5-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-chloro-2,5-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0189 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C19 H21 Cl N2 O6 S |
| Smiles: | COc1cc(c(cc1NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8863 |
| logD: | 2.7883 |
| logSw: | -3.5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.207 |
| InChI Key: | COUYHPRFJOYVEG-INIZCTEOSA-N |