1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-{[4-(propan-2-yl)phenyl]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-{[4-(propan-2-yl)phenyl]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-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-7065 |
| Compound Name: | 1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C28 H27 N5 O2 S2 |
| Smiles: | CC(C)c1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2ccc(cc2)N2CCCC2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.557 |
| logD: | 5.557 |
| logSw: | -5.2126 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.147 |
| InChI Key: | CWHXYLUOZQIBBN-UHFFFAOYSA-N |