methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0133 |
| Compound Name: | methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 482.92 |
| Molecular Formula: | C24 H16 Cl F N2 O4 S |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccccc1)=O)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4827 |
| logD: | 4.4827 |
| logSw: | -4.6413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.58 |
| InChI Key: | KLOLMDUBJREKAO-UHFFFAOYSA-N |