7-chloro-N-(2,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-(2,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1308 |
| Compound Name: | 7-chloro-N-(2,4-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: | COc1ccc(c(c1)OC)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9249 |
| logD: | 2.9245 |
| logSw: | -3.6237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.12 |
| InChI Key: | BRKQKBLFORARTD-QGZVFWFLSA-N |