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856005-74-8 | Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CAS No: 856005-74-8 Catalog No: AG004U58 MDL No:
Product Description
Catalog Number:
AG004U58
Chemical Name:
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CAS Number:
856005-74-8
Molecular Formula:
C21H22N4O4
Molecular Weight:
394.4238
IUPAC Name:
N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
InChI:
InChI=1S/C21H22N4O4/c1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
InChI Key:
XHHWYSOCWRJUGN-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)Nc1cncc(n1)c1cccc(c1)NC(=O)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.431g/mol
Monoisotopic Mass:
394.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Novel inhibitors of the v-raf murine sarcoma viral oncogene homologue B1 (BRAF) based on a 2,6-disubstituted pyrazine scaffold. | Journal of medicinal chemistry 20080612 |
| Novel inhibitors of B-RAF based on a disubstituted pyrazine scaffold. Generation of a nanomolar lead. | Journal of medicinal chemistry 20060112 |
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