4-benzyl-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0446 |
| Compound Name: | 4-benzyl-1-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | CC1CCCCN1C(CSc1nnc2N(Cc3ccccc3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6966 |
| logD: | 3.6966 |
| logSw: | -3.8625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.008 |
| InChI Key: | BEKBQGOPTRALBH-HNNXBMFYSA-N |