N-benzyl-4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0251 |
| Compound Name: | N-benzyl-4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | C1COCCC1C(N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7344 |
| logD: | 2.7344 |
| logSw: | -3.2598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.345 |
| InChI Key: | UIKCRNQQJJFMEQ-UHFFFAOYSA-N |