3,4-dichloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
3,4-dichloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
3,4-dichloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V003-5153 |
| Compound Name: | 3,4-dichloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 501.37 |
| Molecular Formula: | C25 H22 Cl2 N2 O5 |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(c2ccc(c(c2)[Cl])[Cl])=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.563 |
| logD: | 4.5513 |
| logSw: | -4.6652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.016 |
| InChI Key: | NZHVKMHWMLKUNV-UHFFFAOYSA-N |