methyl 3-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0331 |
| Compound Name: | methyl 3-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 532.59 |
| Molecular Formula: | C28 H25 F N4 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(CC(N2CCN(CC2)c2ccccc2F)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9634 |
| logD: | 3.9421 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.961 |
| InChI Key: | SMGAHZWRIQXHIR-UHFFFAOYSA-N |