4-butyl-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-butyl-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-butyl-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: | F401-0046 |
| Compound Name: | 4-butyl-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: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8804 |
| logD: | 3.8804 |
| logSw: | -3.7229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.397 |
| InChI Key: | BOIJDFIYTNNUEG-UHFFFAOYSA-N |