| CAS Number | 1067191-08-5 |
| Catalog Number | AG003AMD(AGN-PC-04Z8X4) |
| Chemical Name | Benzamide, N-[4-(1-cyano-1-methylethyl)-3-(3-pyridinyl)phenyl]-3,4-dimethoxy- |
| IUPAC Name | N-[4-(2-cyanopropan-2-yl)-3-pyridin-3-ylphenyl]-3,4-dimethoxybenzamide |
| InChI | InChI=1S/C24H23N3O3/c1-24(2,15-25)20-9-8-18(13-19(20)17-6-5-11-26-14-17)27-23(28)16-7-10-21(29-3)22(12-16)30-4/h5-14H,1-4H3,(H,27,28) |
| InChI Key | AMOZYIARVZBSIH-UHFFFAOYSA-N |
| MDL Number | MFCD00070623 |
| Molecular Formula | C24H23N3O3 |
| Molecular Weight | 401.4577 |
| SMILES | C(#N)C(C)(C)C1=C(C=C(C=C1)NC(C1=CC(=C(C=C1)OC)OC)=O)C=1C=NC=CC1 |
| Synonyms | SCHEMBL2814650,
Benzamide, N-[4-(1-cyano-1-methylethyl)-3-(3-pyridinyl)phenyl]-3,4-dimethoxy-,
1067191-08-5,
|
| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.466g/mol |
| Monoisotopic Mass | 401.174g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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