| CAS Number | 1800025-30-2 |
| Catalog Number | AG01EOHF(AGN-PC-3H46DN) |
| Chemical Name | TP-020 |
| IUPAC Name | N-(4-chloro-2,6-difluorophenyl)-1-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrimidin-2-yl]-7-(2-oxopyrrolidin-1-yl)-2,3-dihydroindole-5-sulfonamide |
| InChI | InChI=1S/C27H21ClF5N7O3S/c1-38-20(11-22(36-38)27(31,32)33)15-12-34-26(35-13-15)40-6-4-14-7-17(10-21(25(14)40)39-5-2-3-23(39)41)44(42,43)37-24-18(29)8-16(28)9-19(24)30/h7-13,37H,2-6H2,1H3 |
| InChI Key | VSZRYLHBOKTNBO-UHFFFAOYSA-N |
| MDL Number | MFCD31544334 |
| Molecular Formula | C27H21ClF5N7O3S |
| Molecular Weight | 654.0108 |
| SMILES | N1(C2=NC=C(C3N(C)N=C(C(F)(F)F)C=3)C=N2)C2=C(C=C(S(NC3=C(F)C=C(Cl)C=C3F)(=O)=O)C=C2N2CCCC2=O)CC1 |
| Synonyms | MGAT2-IN-1,
1800025-30-2,
CS-7620,
HY-101857,
N-(4-Chloro-2,6-difluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-yl]-2-pyrimidinyl]-7-(2-oxopyrrolizino)indoline-5-sulfonamide,
|
| Complexity | 1150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 653.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 654.013g/mol |
| Monoisotopic Mass | 653.104g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number