4-(2-methylphenyl)-1-[(prop-2-en-1-yl)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-(2-methylphenyl)-1-[(prop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(2-methylphenyl)-1-[(prop-2-en-1-yl)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: | 3683-0649 |
| Compound Name: | 4-(2-methylphenyl)-1-[(prop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C21 H20 N4 O S2 |
| Smiles: | Cc1ccccc1N1C(c2c3CCCCc3sc2n2c1nnc2SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9837 |
| logD: | 4.9837 |
| logSw: | -4.7277 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.043 |
| InChI Key: | OWLHGSMEYPSYSE-UHFFFAOYSA-N |