| CAS Number | 1991986-30-1 |
| Catalog Number | AG00AS5B(AGN-PC-0WNHEC) |
| Chemical Name | ML364 |
| IUPAC Name | 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31) |
| InChI Key | QZUGMNXETPARLI-UHFFFAOYSA-N |
| MDL Number | MFCD30718174 |
| Molecular Formula | C24H18F3N3O3S2 |
| Molecular Weight | 517.5432 |
| SMILES | N(S(=O)(=O)c1ccc(cc1)C)c1c(C(=O)Nc2nc(cs2)c2ccccc2)ccc(c1)C(F)(F)F |
| Synonyms | ML364,
1991986-30-1,
2-[(4-methylphenyl)sulfonylamino]-n-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide,
NCGC00262995-02,
CHEMBL3392741,
SCHEMBL20782884,
BCP20769,
AKOS032944928,
ZINC169341604,
CS-6197,
NCGC00262995-01,
HY-100900,
2-(4-Methylphenylsulfonamido)-N-(4-phenylthiazol-2-yl)-4-(trifluoromethyl)benzamide,
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| Complexity | 822 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 517.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 517.541g/mol |
| Monoisotopic Mass | 517.074g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number