methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0061 |
| Compound Name: | methyl 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCN(CC3)c3ccccc3F)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4282 |
| logD: | 3.4023 |
| logSw: | -3.8635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.412 |
| InChI Key: | AEFCGCLNGSDWFD-UHFFFAOYSA-N |