3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N-methyl-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-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-0690 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)oxy]-N-ethyl-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 468.48 |
| Molecular Formula: | C23 H20 N2 O7 S |
| Smiles: | CCN(C)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9594 |
| logD: | 3.9368 |
| logSw: | -4.039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.851 |
| InChI Key: | KAOIVPOWGZVWPV-UHFFFAOYSA-N |