methyl 3-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperazin-1-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperazin-1-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperazin-1-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0424 |
| Compound Name: | methyl 3-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperazin-1-yl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C22 H22 Cl F N4 O3 |
| Smiles: | CCN1CCN(CC1)C1=Nc2cc(ccc2C(N1c1ccc(c(c1)[Cl])F)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0292 |
| logD: | 1.2026 |
| logSw: | -3.493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.922 |
| InChI Key: | PTFVRPLVFTVHEM-UHFFFAOYSA-N |