methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1312 |
| Compound Name: | methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C26 H25 N3 O5 S2 |
| Smiles: | Cc1ccccc1CSC1=Nc2cc(ccc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3189 |
| logD: | 4.3182 |
| logSw: | -4.3294 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | DQGIGWBGTFTCMU-UHFFFAOYSA-N |