1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)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-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0449 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 462.97 |
| Molecular Formula: | C19 H12 Cl F N4 O S3 |
| Smiles: | C(c1cccs1)N1C(c2c(ccs2)n2c1nnc2SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1151 |
| logD: | 5.1151 |
| logSw: | -5.5622 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.349 |
| InChI Key: | BGSFVXFGDGKHSA-UHFFFAOYSA-N |