2-chloro-N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
2-chloro-N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
2-chloro-N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V011-8725 |
| Compound Name: | 2-chloro-N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide |
| Molecular Weight: | 439.87 |
| Molecular Formula: | C23 H19 Cl F N3 O3 |
| Smiles: | C(CN1Cc2cc(ccc2OCC1=O)NC(c1cccnc1[Cl])=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.8672 |
| logD: | 2.864 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.332 |
| InChI Key: | DDKDXGAYPOXRTC-UHFFFAOYSA-N |