HuagongsheHuagongshe Chemistry Print Report · For research reference only
Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)nonyl)-
3-(2,6-dipropan-2-ylphenyl)-1-[2-(1-methylindol-3-yl)nonyl]urea · Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)nonyl]-
Identifiers & Physical Properties
| CAS No. | 145131-39-1 |
|---|---|
| Molecular formula | C31H45N3O |
| Average molar mass | 475.7 g/mol |
| Monoisotopic mass | 475.35626307 g/mol |
| SMILES | CCCCCCCC(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cn(C)c2ccccc12 |
| InChIKey | RWYJLSJUTLZODA-UHFFFAOYSA-N |
| PubChem CID | 3072913 |
| DTXSID | DTXSID60932510 |
Chemical & Physical Properties
| XLogP | 8.6 |
|---|---|
| Topological polar surface area | 46.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 12 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 604 |