1-{[(2,5-dimethylphenyl)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-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)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: | F401-0185 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C24 H22 N4 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(Cc4ccc(cc4)OC)C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9195 |
| logD: | 5.9195 |
| logSw: | -5.419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.874 |
| InChI Key: | VXVKXKZGABJDPT-UHFFFAOYSA-N |