3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8016-6805 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C17 H13 Br N4 O S |
| Smiles: | COc1ccc(CSc2nc3c(c4ccccc4[nH]3)nn2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7873 |
| logD: | 3.7873 |
| logSw: | -4.2382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.165 |
| InChI Key: | PFGGTYISKPDJFZ-UHFFFAOYSA-N |