methyl 2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2126 |
| Compound Name: | methyl 2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 557.6 |
| Molecular Formula: | C24 H23 N5 O7 S2 |
| Smiles: | Cc1cc(NC(CSC2=Nc3cc(ccc3C(N2CCc2ccc(cc2)S(N)(=O)=O)=O)C(=O)OC)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.291 |
| logD: | 2.2797 |
| logSw: | -2.9836 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 142.471 |
| InChI Key: | LMGBZGHXKSNHGK-UHFFFAOYSA-N |