1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0464 |
| Compound Name: | 1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-[(thiophen-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C23 H19 N5 O2 S3 |
| Smiles: | C1CC(N(C1)c1ccc(CSc2nnc3N(Cc4cccs4)C(c4c(ccs4)n23)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8752 |
| logD: | 3.8752 |
| logSw: | -3.8923 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.165 |
| InChI Key: | STWOHKIBNIDWRV-UHFFFAOYSA-N |