| CAS Number | 1443373-17-8 |
| Catalog Number | AG01EOHX |
| Chemical Name | 4-[2-Methoxy-4-(trifluoromethyl)phenyl]-N-2-thiazolyl-7-quinazolinesulfonamide |
| IUPAC Name | 4-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinazoline-7-sulfonamide |
| InChI | InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26) |
| InChI Key | VSUDRCZPHWUXEW-UHFFFAOYSA-N |
| MDL Number | MFCD30738047 |
| Molecular Formula | C19H13F3N4O3S2 |
| Molecular Weight | 466.4567 |
| SMILES | COC1=C(C=CC(=C1)C(F)(F)F)C1=NC=NC2=CC(=CC=C12)S(=O)(=O)NC=1SC=CN1 |
| Synonyms | AM-2099,
1443373-17-8,
AM2099,
VSUDRCZPHWUXEW-UHFFFAOYSA-N,
CHEMBL3687538,
SCHEMBL15010164,
BDBM154245,
EX-A1386,
AKOS032960449,
CS-6894,
HY-100727,
US9012443, 261,
4-(2-methoxy-4-(trifluoromethyl)phenyl)-N-(thiazol-2-yl)quinazoline-7-sulfonamide,
|
| Complexity | 721 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.453g/mol |
| Monoisotopic Mass | 466.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number