N-benzyl-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0240 |
| Compound Name: | N-benzyl-4-(propan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | CC(C)N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2801 |
| logD: | 2.2845 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.652 |
| InChI Key: | PMVBJMWJSYMNKQ-UHFFFAOYSA-N |