3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-benzyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-benzyl-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-benzyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8013-1200 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-benzyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C23 H16 N6 O S |
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(nn2)SCc1ccc2c(c1)non2 |
| Stereo: | ACHIRAL |
| logP: | 5.3986 |
| logD: | 5.3986 |
| logSw: | -6.158 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.026 |
| InChI Key: | UBVOHUWQLLLZKW-UHFFFAOYSA-N |