methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0423 |
| Compound Name: | methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C26 H22 Cl F N4 O3 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCN(CC1)c1ccccc1)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5017 |
| logD: | 4.5 |
| logSw: | -4.6774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.645 |
| InChI Key: | UXJOCOHQBQAZFA-UHFFFAOYSA-N |