3-{[(4-methylphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{[(4-methylphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 5863-2113 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 306.39 |
| Molecular Formula: | C17 H14 N4 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4[nH]3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4473 |
| logD: | 3.4473 |
| logSw: | -3.6824 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.535 |
| InChI Key: | CVFHIKAWXVSYQW-UHFFFAOYSA-N |