3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | C270-0438 |
| Compound Name: | 3-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C21 H23 F N4 O S |
| Smiles: | C(CN1CCN(CC1)c1ccccc1F)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5454 |
| logD: | 3.3111 |
| logSw: | -3.9129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.238 |
| InChI Key: | NMWGRHXBVJMAHX-UHFFFAOYSA-N |