6-methyl-4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-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
6-methyl-4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
6-methyl-4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-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: | Y512-7008 |
| Compound Name: | 6-methyl-4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C27 H24 N4 O2 S2 |
| Smiles: | CC1CCCc2c1c1C(N(c3ccc(C)cc3)c3nnc(n3c1s2)SCC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.574 |
| logD: | 5.574 |
| logSw: | -5.461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.32 |
| InChI Key: | XTLHQCIIEUFXFG-KRWDZBQOSA-N |