N-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0225 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C22 H25 F N2 O3 |
| Smiles: | C1COCCC1N1CCOc2ccc(cc2C1)C(NCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0834 |
| logD: | 2.2976 |
| logSw: | -3.2861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.79 |
| InChI Key: | XSHDYLJVCDMESK-UHFFFAOYSA-N |