N-(3-acetylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(3-acetylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1380 |
| Compound Name: | N-(3-acetylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C19 H19 Cl N2 O5 S |
| Smiles: | CC(c1cccc(c1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.622 |
| logD: | 2.6216 |
| logSw: | -3.5492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.471 |
| InChI Key: | BRQKMPXCVNYQFU-GOSISDBHSA-N |