1-{[(2-methylphenyl)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-methylphenyl)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-methylphenyl)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: | F401-0469 |
| Compound Name: | 1-{[(2-methylphenyl)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: | 460.62 |
| Molecular Formula: | C25 H24 N4 O S2 |
| Smiles: | CC(C)c1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8479 |
| logD: | 6.8479 |
| logSw: | -5.6462 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | BEGWVSVAZAJNOQ-UHFFFAOYSA-N |