1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0098 |
| Compound Name: | 1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C18 H18 N4 O2 S2 |
| Smiles: | CCCN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9523 |
| logD: | 3.9523 |
| logSw: | -4.0066 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.124 |
| InChI Key: | PCQIQJHXISZOEH-UHFFFAOYSA-N |