N-benzyl-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0252 |
| Compound Name: | N-benzyl-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C22 H26 N2 O3 |
| Smiles: | C1COCCC1N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.709 |
| logD: | 1.9232 |
| logSw: | -3.1818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.79 |
| InChI Key: | ZUBSIRBGQXXQQM-UHFFFAOYSA-N |