8-methyl-1-[(3-methylbutyl)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-methyl-1-[(3-methylbutyl)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-methyl-1-[(3-methylbutyl)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: | 4333-3845 |
| Compound Name: | 8-methyl-1-[(3-methylbutyl)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: | 438.61 |
| Molecular Formula: | C23 H26 N4 O S2 |
| Smiles: | CC(C)CCSc1nnc2N(C(c3c4CCC(C)Cc4sc3n12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6815 |
| logD: | 5.6815 |
| logSw: | -5.5556 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.344 |
| InChI Key: | HHVAAFUPGPGCAN-OAHLLOKOSA-N |