3-(butylsulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-(butylsulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
3-(butylsulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 4896-0232 |
| Compound Name: | 3-(butylsulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C14 H16 N4 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.704 |
| logD: | 3.704 |
| logSw: | -3.8594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.806 |
| InChI Key: | ZZSXJUVJHDOMPQ-UHFFFAOYSA-N |