4-[(4-chlorophenyl)methyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0378 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 467.01 |
| Molecular Formula: | C23 H19 Cl N4 O S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(Cc4ccc(cc4)[Cl])C(c4c(ccs4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5319 |
| logD: | 6.5319 |
| logSw: | -6.204 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | UPCIVHNYJGVQRZ-UHFFFAOYSA-N |