3-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6179 |
| Compound Name: | 3-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C26 H29 F N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9134 |
| logD: | 4.9122 |
| logSw: | -4.7673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.419 |
| InChI Key: | KIQSANOJORLWBC-UHFFFAOYSA-N |