4-(3-methylbutyl)-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-(3-methylbutyl)-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-(3-methylbutyl)-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: | F401-0021 |
| Compound Name: | 4-(3-methylbutyl)-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: | 467.61 |
| Molecular Formula: | C23 H25 N5 O2 S2 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1954 |
| logD: | 4.1954 |
| logSw: | -4.0841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.397 |
| InChI Key: | QCSGZYRETHQALO-UHFFFAOYSA-N |