1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 6280-0581 |
| Compound Name: | 1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C27 H23 F N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(CCc3ccccc3)c3nnc(n3c1s2)SCC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5071 |
| logD: | 5.5071 |
| logSw: | -5.813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.91 |
| InChI Key: | BSJNCDDWJPUYMD-UHFFFAOYSA-N |