1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-chlorophenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-chlorophenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-chlorophenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0390 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-chlorophenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 491.39 |
| Molecular Formula: | C21 H13 Cl2 F N4 O S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.204 |
| logD: | 6.204 |
| logSw: | -6.3326 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | PFXZHYOFLLYJBD-UHFFFAOYSA-N |