| CAS Number | 942507-42-8 |
| Catalog Number | AG01FSN9(AGN-PC-3H6095) |
| Chemical Name | 3-(2-Cyanopropan-2-yl)-N-(3-((7-methoxyquinazolin-4-yl)amino)-4-methylphenyl)benzamide |
| IUPAC Name | 3-(2-cyanopropan-2-yl)-N-[3-[(7-methoxyquinazolin-4-yl)amino]-4-methylphenyl]benzamide |
| InChI | InChI=1S/C27H25N5O2/c1-17-8-9-20(31-26(33)18-6-5-7-19(12-18)27(2,3)15-28)13-23(17)32-25-22-11-10-21(34-4)14-24(22)29-16-30-25/h5-14,16H,1-4H3,(H,31,33)(H,29,30,32) |
| InChI Key | NGWQZRWVYYFTHC-UHFFFAOYSA-N |
| MDL Number | MFCD31812677 |
| Molecular Formula | C27H25N5O2 |
| Molecular Weight | 451.5197 |
| SMILES | C(#N)C(C)(C)C=1C=C(C(=O)NC2=CC(=C(C=C2)C)NC2=NC=NC3=CC(=CC=C23)OC)C=CC1 |
| Synonyms | AZ304,
942507-42-8,
3-(2-Cyanopropan-2-yl)-N-(3-((7-methoxyquinazolin-4-yl)amino)-4-methylphenyl)benzamide,
SCHEMBL4746679,
EX-A2996,
HY-117273,
AK00784396,
CS-0064828,
|
| Complexity | 749 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 451.200825g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.5g/mol |
| Monoisotopic Mass | 451.200825g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 99.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number