| CAS Number | 1415716-58-3 |
| Catalog Number | AG009CKG(AGN-PC-0WD844) |
| Chemical Name | TG6-10-1 |
| IUPAC Name | (E)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| InChI | InChI=1S/C23H23F3N2O4/c1-30-18-12-15(13-19(31-2)22(18)32-3)8-9-21(29)27-10-11-28-17-7-5-4-6-16(17)14-20(28)23(24,25)26/h4-9,12-14H,10-11H2,1-3H3,(H,27,29)/b9-8+ |
| InChI Key | WUYOECAJFJFUFC-CMDGGOBGSA-N |
| MDL Number | MFCD29472234 |
| Molecular Formula | C23H23F3N2O4 |
| Molecular Weight | 448.4349 |
| SMILES | O=C(NCCN1C(C(F)(F)F)=CC2=C1C=CC=C2)/C=C/C3=CC(OC)=C(OC)C(OC)=C3 |
| Synonyms | TG6-10-1,
TG6-10-1,
1415716-58-3,
CHEMBL3264204,
BCP16857,
EX-A2407,
BDBM50016950,
MFCD29472234,
AKOS027439955,
ZINC169347551,
CS-4637,
NCGC00484068-01,
HY-16978,
A15968,
(E)-N-(2-(2-(Trifluoromethyl)-1H-indol-1-yl)ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide,
(2E)-N-{2-[2-(trifluoromethyl)-1H-indol-1-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide,
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| Complexity | 631 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 448.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.442g/mol |
| Monoisotopic Mass | 448.161g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number