5-[(3-methylphenyl)methyl]-3-[(prop-2-en-1-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
5-[(3-methylphenyl)methyl]-3-[(prop-2-en-1-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
5-[(3-methylphenyl)methyl]-3-[(prop-2-en-1-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | V008-4194 |
| Compound Name: | 5-[(3-methylphenyl)methyl]-3-[(prop-2-en-1-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C20 H18 N4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cn2c3ccccc3c3c2nc(nn3)SCC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2998 |
| logD: | 5.2998 |
| logSw: | -5.7261 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.978 |
| InChI Key: | BMIIKKJMKMAFSY-UHFFFAOYSA-N |