1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethylthieno[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-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0122 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 394.87 |
| Molecular Formula: | C16 H12 Cl F N4 O S2 |
| Smiles: | CCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3072 |
| logD: | 4.3072 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.327 |
| InChI Key: | CXNUZRUXTGZPIW-UHFFFAOYSA-N |