| CAS Number | 959551-10-1 |
| Catalog Number | AG01DU9R(AGN-PC-0WOL6V) |
| Chemical Name | N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine |
| IUPAC Name | N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine |
| InChI | InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26) |
| InChI Key | QBDAEJRHUCSSPR-UHFFFAOYSA-N |
| MDL Number | MFCD30738011 |
| Molecular Formula | C20H14F3N3S |
| Molecular Weight | 385.4055 |
| SMILES | FC(F)(F)C1=CC=CC=C1C1=NC(NCC2=CC=CS2)=C2C=CC=CC2=N1 |
| Synonyms | NCGC00012848-02,
NIH-12848,
NIH-12848,
959551-10-1,
N-(Thiophen-2-ylmethyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine,
NCGC00012848-02,
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine,
NCGC00012848,
AC1MM9V8,
CHEMBL1529478,
BCP20771,
PCOP-954689,
ZINC4266401,
AKOS032960439,
CS-6339,
HY-101423,
N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine,
CID3235425,
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| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.408g/mol |
| Monoisotopic Mass | 385.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number