methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1756 |
| Compound Name: | methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 562.04 |
| Molecular Formula: | C25 H21 Cl F N3 O5 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2679 |
| logD: | 4.2671 |
| logSw: | -4.5119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | GEQWMJMKIOVNEZ-UHFFFAOYSA-N |