CV-159

Chemical Information
structure given in first source
| CAS Number | 86384-98-7 |
| PubChem CID | 135211 |
| IUPAC Name | 3-O-methyl 5-O-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Formula | C31H34N4O7 |
| Molecular Weight | 574.6 |
| XLogP | 5.9 |
| Topological Polar Surface Area | 148 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Property | Value |
|---|---|
| Molecular Weight | 574.6 |
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 574.24274944 |
| Monoisotopic Mass | 574.24274944 |
| Topological Polar Surface Area | 148 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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