3-{(2E)-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{(2E)-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{(2E)-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 4896-0971 |
| Compound Name: | 3-{(2E)-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C23 H28 N6 |
| Smiles: | CC1CC2=CCCC(C)(C)C2CC1/C=N/Nc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5818 |
| logD: | 4.5195 |
| logSw: | -4.3985 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.468 |
| InChI Key: | ZJMNWWOSWJJSTK-UHFFFAOYSA-N |