methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[4-(prop-2-en-1-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[4-(prop-2-en-1-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[4-(prop-2-en-1-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0442 |
| Compound Name: | methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-[4-(prop-2-en-1-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C23 H22 Cl F N4 O3 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCN(CC1)CC=C)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2859 |
| logD: | 2.138 |
| logSw: | -3.7032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.175 |
| InChI Key: | WCTGKAPACTVRRQ-UHFFFAOYSA-N |