2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2617 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C25 H25 F N4 O4 S |
| Smiles: | COc1cc(c(cc1C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(c1)F)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1938 |
| logD: | 4.1319 |
| logSw: | -4.4182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.958 |
| InChI Key: | VSPYQPDNHMQZRW-QHCPKHFHSA-N |