3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8016-8906 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 429.29 |
| Molecular Formula: | C18 H13 Br N4 O2 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2782 |
| logD: | 4.2782 |
| logSw: | -4.4213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.904 |
| InChI Key: | OYSODIZLMZBTIB-UHFFFAOYSA-N |