1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0212 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C20 H18 Cl F N4 O S |
| Smiles: | CCCN1C(c2cc(C)ccc2n2c1nnc2SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2173 |
| logD: | 5.2173 |
| logSw: | -5.4895 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | UCTIMQRYPOMTIM-UHFFFAOYSA-N |