| CAS Number | 1713240-67-5 |
| Catalog Number | AG01EOIH |
| Chemical Name | N-[5-(6-Chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrazinyl]-2-fluoro-6-methylbenzamide |
| IUPAC Name | N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide |
| InChI | InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27) |
| InChI Key | QQMKTHUGOQDEIL-UHFFFAOYSA-N |
| MDL Number | MFCD30489478 |
| Molecular Formula | C19H11ClF3N3O3 |
| Molecular Weight | 421.7571 |
| SMILES | O=C(NC1=NC=C(C2=C(Cl)C=C(OC(F)(F)O3)C3=C2)N=C1)C4=C(C)C=CC=C4F |
| Synonyms | CM-4620,
1713240-67-5,
CM4620,
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide,
N-(5-(6-Chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl)pyrazin-2-yl)-2-fluoro-6-methylbenzamide,
SCHEMBL18038390,
GTPL10087,
EX-A1898,
AKOS030528045,
CM 4620,
compound I [WO2016138472A1],
SB18686,
AK549808,
HY-101942,
CS-0022201,
|
| Complexity | 617 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 421.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.76g/mol |
| Monoisotopic Mass | 421.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number