5-butyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Chemical Structure Depiction of
5-butyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
5-butyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Compound characteristics
| Compound ID: | 6927-0939 |
| Compound Name: | 5-butyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C14 H16 N4 S |
| Smiles: | CCCCn1c2ccc(C)cc2c2c1nc(nn2)S |
| Stereo: | ACHIRAL |
| logP: | 3.6859 |
| logD: | 2.4609 |
| logSw: | -3.7676 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.105 |
| InChI Key: | DTXIOWYWHZFZJA-UHFFFAOYSA-N |