2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | L244-0108 |
| Compound Name: | 2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C25 H29 F N6 O2 S |
| Smiles: | C1CCC2=C(C1)C(N1C(=N2)SC(=N1)N1CCCC(C1)C(N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1 |
| logD: | 3.0991 |
| logSw: | -3.3991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.349 |
| InChI Key: | WCXYCTYIFQXCFP-KRWDZBQOSA-N |