3-{[3-(4-methylpiperazin-1-yl)propyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{[3-(4-methylpiperazin-1-yl)propyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole--hydrogen chloride (1/1)
3-{[3-(4-methylpiperazin-1-yl)propyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 1017-0049 |
| Compound Name: | 3-{[3-(4-methylpiperazin-1-yl)propyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole--hydrogen chloride (1/1) |
| Molecular Weight: | 378.93 |
| Molecular Formula: | C17 H22 N6 S |
| Salt: | HCl |
| Smiles: | CN1CCN(CCCSc2nc3c(c4ccccc4[nH]3)nn2)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.5991 |
| logD: | 0.5479 |
| logSw: | -2.0959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.994 |
| InChI Key: | AUAKAZAYTPSUNZ-UHFFFAOYSA-N |