N-(2H-1,3-benzodioxol-5-yl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P619-0181 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide |
| Molecular Weight: | 425.42 |
| Molecular Formula: | C20 H15 N3 O6 S |
| Smiles: | CN1C(c2cc(ccc2Oc2cccnc12)S(Nc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7008 |
| logD: | 2.6635 |
| logSw: | -3.4824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.698 |
| InChI Key: | UXHUCHKYPIYHML-UHFFFAOYSA-N |