| CAS Number | 1610358-56-9 |
| Catalog Number | AG01EOQ2(AGN-PC-3H46HD) |
| Chemical Name | (+)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine |
| IUPAC Name | 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine |
| InChI | InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25) |
| InChI Key | YZCUMZWULWOUMD-UHFFFAOYSA-N |
| MDL Number | MFCD31619237 |
| Molecular Formula | C19H18F2N4O2S |
| Molecular Weight | 404.4336 |
| SMILES | CS(CC1=CC(NC2=NC=C(F)C(C3=CC=C(F)C=C3OC)=C2)=NC=C1)(=O)=N |
| Synonyms | (+)-BAY-1251152,
( inverted exclamation markA)-BAY-1251152,
1610358-56-9,
SCHEMBL15720569,
YZCUMZWULWOUMD-UHFFFAOYSA-N,
EX-A2674,
HY-103019A,
BAY-1251152,
CS-0028326,
(+/-)-BAY-1251152,
(rac)-5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine,
1610358-53-6,
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine,
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| Complexity | 619 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.436g/mol |
| Monoisotopic Mass | 404.112g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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