9-(4-fluorophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-fluorophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-fluorophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1279 |
| Compound Name: | 9-(4-fluorophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C20 H21 F N4 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)F)n3c(N2)nc(n3)SCC=C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4299 |
| logD: | 4.2909 |
| logSw: | -4.365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | PLYKOWUTZUKOBK-KRWDZBQOSA-N |