1-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0508 |
| Compound Name: | 1-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(2-ethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 483.01 |
| Molecular Formula: | C23 H19 Cl N4 O2 S2 |
| Smiles: | CCOc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3669 |
| logD: | 5.3669 |
| logSw: | -5.7958 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.541 |
| InChI Key: | CJIJZCMDKJBBJD-UHFFFAOYSA-N |