methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0137 |
| Compound Name: | methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 526.97 |
| Molecular Formula: | C26 H20 Cl F N2 O5 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3cc(ccc3C(N2c2ccc(c(c2)[Cl])F)=O)C(=O)OC)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.743 |
| logD: | 4.743 |
| logSw: | -4.9177 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.79 |
| InChI Key: | WEMPTOAQGLCGLO-UHFFFAOYSA-N |