N-[(4-methylphenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0210 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C23 H28 N2 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)C3CCOCC3)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1323 |
| logD: | 2.3466 |
| logSw: | -3.1091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.79 |
| InChI Key: | NSDHYDDQSNECEY-UHFFFAOYSA-N |