N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | V016-8456 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C25 H23 F N2 O5 |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(c2cccc(c2)F)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4017 |
| logD: | 3.4003 |
| logSw: | -3.6931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.016 |
| InChI Key: | QXHUIGJBSRSLHA-UHFFFAOYSA-N |