1-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0088 |
| Compound Name: | 1-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C23 H16 Cl F N4 O S |
| Smiles: | C(c1ccc(cc1)F)N1C(c2ccccc2n2c1nnc2SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1848 |
| logD: | 5.1848 |
| logSw: | -5.4572 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | NSIWXOVHIFOHBM-UHFFFAOYSA-N |