N-(3-chloro-4-methoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(3-chloro-4-methoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0113 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 410.87 |
| Molecular Formula: | C18 H19 Cl N2 O5 S |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8096 |
| logD: | 2.8085 |
| logSw: | -3.5065 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.274 |
| InChI Key: | VMBPXQMLOPFQHI-KRWDZBQOSA-N |