1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-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-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-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: | 2766-0248 |
| Compound Name: | 1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C25 H20 N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(c3ccccc3)c3nnc(n3c1s2)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6788 |
| logD: | 4.6788 |
| logSw: | -4.8293 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.32 |
| InChI Key: | VZCJKIJULXLOBY-UHFFFAOYSA-N |