4-benzyl-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0171 |
| Compound Name: | 4-benzyl-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C25 H21 N5 O2 S2 |
| Smiles: | C1CC(N(C1)c1ccc(CSc2nnc3N(Cc4ccccc4)C(c4c(ccs4)n23)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2188 |
| logD: | 4.2188 |
| logSw: | -4.1978 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.147 |
| InChI Key: | NDQHTBBYQKIJRF-UHFFFAOYSA-N |