methyl 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0244 |
| Compound Name: | methyl 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C24 H25 F N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(N3CCN(CC3)c3ccc(cc3)F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9302 |
| logD: | 2.9261 |
| logSw: | -3.5522 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.123 |
| InChI Key: | AGUVKPNYXYMNCR-UHFFFAOYSA-N |