2-{[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-2277 |
| Compound Name: | 2-{[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C25 H22 N4 O6 S2 |
| Smiles: | C(CNC(CSC1=Nc2ccccc2C(N1c1ccc2c(c1)OCO2)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3467 |
| logD: | 1.3458 |
| logSw: | -2.5245 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.191 |
| InChI Key: | GZMWCZJKBANYCP-UHFFFAOYSA-N |