4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-6475 |
| Compound Name: | 4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
| Molecular Weight: | 579.7 |
| Molecular Formula: | C28 H29 N5 O5 S2 |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8421 |
| logD: | 1.8414 |
| logSw: | -2.7656 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.537 |
| InChI Key: | KOTCCNDKYNLHTR-UHFFFAOYSA-N |