4-benzyl-1-[(3-methylbutyl)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
4-benzyl-1-[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-[(3-methylbutyl)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: | 4386-0055 |
| Compound Name: | 4-benzyl-1-[(3-methylbutyl)sulfanyl]-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(Cc3ccccc3)C(c3c4CCCCc4sc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8426 |
| logD: | 5.8426 |
| logSw: | -5.4503 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.956 |
| InChI Key: | AXBRHRAUXNLOMI-UHFFFAOYSA-N |