3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8013-0920 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 427.28 |
| Molecular Formula: | C17 H11 Br N6 O S |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCc1ccc2c(c1)non2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3598 |
| logD: | 4.3598 |
| logSw: | -4.3983 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.108 |
| InChI Key: | GKEJCVSHTBYBGQ-UHFFFAOYSA-N |