3-{[(2-methylphenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
Compound ID: | 8013-1694 |
Compound Name: | 3-{[(2-methylphenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole |
Molecular Weight: | 346.45 |
Molecular Formula: | C20 H18 N4 S |
Smiles: | Cc1ccccc1CSc1nc2c(c3ccccc3n2CC=C)nn1 |
Stereo: | ACHIRAL |
logP: | 5.3258 |
logD: | 5.3258 |
logSw: | -5.6662 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.957 |
InChI Key: | PEEGNPDKKGRQTK-UHFFFAOYSA-N |