N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V017-4533 |
| Compound Name: | N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C25 H23 F N2 O4 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(CN(CCc3ccc(cc3)F)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4399 |
| logD: | 3.4398 |
| logSw: | -3.7003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.19 |
| InChI Key: | FQPGLHCAWPTLTB-UHFFFAOYSA-N |