1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0181 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 486.97 |
| Molecular Formula: | C22 H16 Cl F N4 O2 S2 |
| Smiles: | COc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2c(cccc2[Cl])F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4411 |
| logD: | 5.4411 |
| logSw: | -5.897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.874 |
| InChI Key: | YDTDTEJYHYGYPP-UHFFFAOYSA-N |