N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0114 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 332.83 |
| Molecular Formula: | C18 H20 N2 O2 |
| Salt: | HCl |
| Smiles: | [H]N1CCOc2ccc(cc2C1)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5068 |
| logD: | 1.1787 |
| logSw: | -2.892 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.746 |
| InChI Key: | HIWNXJSBEFSWEB-UHFFFAOYSA-N |