| CAS Number | 1952236-05-3 |
| Catalog Number | AG01DUA3 |
| Chemical Name | MTX-211 |
| IUPAC Name | N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide |
| InChI | InChI=1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27) |
| InChI Key | GUYKCXXNIKKSBC-UHFFFAOYSA-N |
| MDL Number | MFCD31620832 |
| Molecular Formula | C20H14Cl2FN5O2S |
| Molecular Weight | 478.3269 |
| SMILES | CS(=O)(=O)NC1=CC(=CN=C1Cl)C1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1 |
| Synonyms | MTX-211,
1952236-05-3,
MTX211,
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide,
SCHEMBL17845979,
BCP25988,
EX-A1821,
MTX 211?,
MTX-211?,
CS-7929,
AC-30347,
HY-107364,
MTX-211; MTX211; MTX 211,1952236-05-3,
N-(2-chloro-5-(4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)pyridin-3-yl)methanesulfonamide,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 478.323g/mol |
| Monoisotopic Mass | 477.023g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number