1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-{[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0477 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 474.65 |
| Molecular Formula: | C26 H26 N4 O S2 |
| Smiles: | CC(C)c1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2cc(C)ccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2753 |
| logD: | 7.2753 |
| logSw: | -5.5128 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | FGSHZCGAHKZSTF-UHFFFAOYSA-N |