N-[(4-methylphenyl)methyl]-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0207 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C21 H26 N2 O2 |
| Smiles: | CC(C)N1CCOc2ccc(cc2C1)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7035 |
| logD: | 2.7079 |
| logSw: | -3.8165 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.652 |
| InChI Key: | COJQOUYXGXPSBE-UHFFFAOYSA-N |