8-tert-butyl-1-{[(3,4-dichlorophenyl)methyl]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
8-tert-butyl-1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
8-tert-butyl-1-{[(3,4-dichlorophenyl)methyl]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: | 3807-0876 |
| Compound Name: | 8-tert-butyl-1-{[(3,4-dichlorophenyl)methyl]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: | 569.57 |
| Molecular Formula: | C28 H26 Cl2 N4 O S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(c4ccccc4)c4nnc(n4c3sc2C1)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1331 |
| logD: | 8.1331 |
| logSw: | -6.6584 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.073 |
| InChI Key: | HVQYLMLGIDRMTK-QGZVFWFLSA-N |