1-(4-methylphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
1-(4-methylphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4715-0088 |
| Compound Name: | 1-(4-methylphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nc2c(c3ccccc3n2C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.552 |
| logD: | 3.552 |
| logSw: | -3.7675 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.035 |
| InChI Key: | XGUHJEXBPOMJCG-UHFFFAOYSA-N |