3-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
3-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-5189 |
| Compound Name: | 3-chloro-N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide |
| Molecular Weight: | 502.97 |
| Molecular Formula: | C24 H23 Cl N2 O6 S |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NS(c2cccc(c2)[Cl])(=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6893 |
| logD: | 3.6479 |
| logSw: | -4.0465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.574 |
| InChI Key: | HLUXQYSQGSSTRY-UHFFFAOYSA-N |