N-(4-acetamidophenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-acetamidophenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1378 |
| Compound Name: | N-(4-acetamidophenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C19 H20 Cl N3 O5 S |
| Smiles: | CC(Nc1ccc(cc1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0823 |
| logD: | 2.0823 |
| logSw: | -3.0892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.906 |
| InChI Key: | LEOCVVZLJGGKCH-GOSISDBHSA-N |