1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-propylthieno[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-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0096 |
| Compound Name: | 1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CCCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4061 |
| logD: | 3.4061 |
| logSw: | -3.7061 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.397 |
| InChI Key: | VTUIPFHLRLTDFX-UHFFFAOYSA-N |