4-[(2-ethoxyphenyl)methyl]-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-[(2-ethoxyphenyl)methyl]-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-[(2-ethoxyphenyl)methyl]-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: | C200-7066 |
| Compound Name: | 4-[(2-ethoxyphenyl)methyl]-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: | 531.65 |
| Molecular Formula: | C27 H25 N5 O3 S2 |
| Smiles: | CCOc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5589 |
| logD: | 4.5589 |
| logSw: | -4.2139 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.357 |
| InChI Key: | WLBDVGDIBGYYKH-UHFFFAOYSA-N |