5-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0098 |
| Compound Name: | 5-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C19 H22 N2 O5 S |
| Smiles: | COc1ccc(CNC(C2CCN(c3ccccc3O2)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7986 |
| logD: | 1.7986 |
| logSw: | -2.4026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.51 |
| InChI Key: | VJRBBBJCAMIJRI-GOSISDBHSA-N |