1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D692-0111 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C27 H23 F N6 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.8039 |
| logD: | 4.7986 |
| logSw: | -4.9948 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.963 |
| InChI Key: | MCZCKSKCCCIBAZ-UHFFFAOYSA-N |