methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0134 |
| Compound Name: | methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C22 H21 F N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(N3CCN(CC3)c3ccccc3F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6976 |
| logD: | 2.6953 |
| logSw: | -3.3601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.844 |
| InChI Key: | PHEYSSBAZOVIPQ-UHFFFAOYSA-N |