4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0101 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C24 H19 F N4 O2 S |
| Smiles: | COc1cccc(CSc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5814 |
| logD: | 4.5814 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.856 |
| InChI Key: | VOSUHRXEVICLED-UHFFFAOYSA-N |