3-[(3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-[(3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]-N,N-dimethylbenzene-1-sulfonamide
3-[(3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D391-0039 |
| Compound Name: | 3-[(3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 402.42 |
| Molecular Formula: | C19 H18 N2 O6 S |
| Smiles: | [H]C([H])(C(c1cccc(c1)S(N(C)C)(=O)=O)=O)N1C(COc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1439 |
| logD: | 1.1439 |
| logSw: | -2.5039 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.094 |
| InChI Key: | YUQZVTAJVOMWGW-UHFFFAOYSA-N |