N-[(2-fluorophenyl)methyl]-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0167 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C23 H22 F N3 O2 |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2cccnc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0454 |
| logD: | 3.0186 |
| logSw: | -3.1604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.846 |
| InChI Key: | UQRROBMYYMYJJQ-UHFFFAOYSA-N |