3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0844 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C27 H29 F N4 O2 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)c2ccc(cc2)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.548 |
| logD: | 4.5474 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.397 |
| InChI Key: | TUIKZSPRULZRJT-UHFFFAOYSA-N |