N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide
Compound characteristics
| Compound ID: | V016-8415 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzenesulfonamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C24 H24 N2 O6 S |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NS(c2ccccc2)(=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.006 |
| logD: | 2.9647 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.574 |
| InChI Key: | NXQMVISUONLVEA-UHFFFAOYSA-N |