2-{4-[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-{4-[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-{4-[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: | L245-0108 |
| Compound Name: | 2-{4-[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)N1CCC(CC1)C(N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1604 |
| logD: | 3.1597 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.416 |
| InChI Key: | ACZYGTCEFJHHKM-UHFFFAOYSA-N |