methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1303 |
| Compound Name: | methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 565.71 |
| Molecular Formula: | C29 H31 N3 O5 S2 |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc(ccc3C(N2CCc2ccc(cc2)S(N)(=O)=O)=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0357 |
| logD: | 5.035 |
| logSw: | -4.6838 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | SEDZWALISXSBQY-UHFFFAOYSA-N |