N-(3,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(3,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0078 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C19 H22 N2 O6 S |
| Smiles: | COc1ccc(cc1OC)NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8339 |
| logD: | 1.8338 |
| logSw: | -2.5354 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.905 |
| InChI Key: | NWWFBISPPDMJGL-QGZVFWFLSA-N |