2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]cyclohexan-1-one
Chemical Structure Depiction of
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]cyclohexan-1-one
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]cyclohexan-1-one
Compound characteristics
| Compound ID: | 8006-4953 |
| Compound Name: | 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]cyclohexan-1-one |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C16 H16 N4 O S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SC1CCCCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7249 |
| logD: | 2.7249 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.228 |
| InChI Key: | PPSLUBHGFAXWRE-ZDUSSCGKSA-N |