1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0543 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C19 H17 Cl N4 O2 S2 |
| Smiles: | C1CC(CN2C(c3c(ccs3)n3c2nnc3SCc2cccc(c2)[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8078 |
| logD: | 3.8078 |
| logSw: | -4.242 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.985 |
| InChI Key: | XPTJXZDMCRORDX-CQSZACIVSA-N |