2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-1945 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 552.63 |
| Molecular Formula: | C26 H24 N4 O6 S2 |
| Smiles: | C(CNC(CSC1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8533 |
| logD: | 1.8526 |
| logSw: | -2.9314 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.803 |
| InChI Key: | GGALEOXAPNFOIW-UHFFFAOYSA-N |