N,N-diethyl-3-[(2-methyl-3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-3-[(2-methyl-3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]benzene-1-sulfonamide
N,N-diethyl-3-[(2-methyl-3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D391-0081 |
| Compound Name: | N,N-diethyl-3-[(2-methyl-3,5-dioxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)acetyl]benzene-1-sulfonamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCN(CC)S(c1cccc(c1)C(CN1C(C(C)Oc2ccccc2C1=O)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2375 |
| logD: | 2.2375 |
| logSw: | -3.0326 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.531 |
| InChI Key: | ULIYUQDIAUMQIU-HNNXBMFYSA-N |