3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-1131 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C24 H22 N2 O7 S |
| Smiles: | CCN(C)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1Oc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0432 |
| logD: | 4.0282 |
| logSw: | -4.1894 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.851 |
| InChI Key: | GQNHAGISSGMMAB-UHFFFAOYSA-N |