1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)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-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0496 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-ethylphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C25 H24 N4 O S2 |
| Smiles: | CCc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2cc(C)ccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8678 |
| logD: | 6.8678 |
| logSw: | -5.5039 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | KQIUZVCHCGLDOU-UHFFFAOYSA-N |