1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(3,4-diethoxyphenyl)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-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-7163 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 527.06 |
| Molecular Formula: | C25 H23 Cl N4 O3 S2 |
| Smiles: | CCOc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2cccc(c2)[Cl])=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.4293 |
| logD: | 5.4293 |
| logSw: | -5.7223 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.751 |
| InChI Key: | VEOIVMNXBZCDMR-UHFFFAOYSA-N |