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917392-54-2 | Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
CAS No: 917392-54-2 Catalog No: AG0036YM MDL No:MFCD16619370
Product Description
Catalog Number:
AG0036YM
Chemical Name:
Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
CAS Number:
917392-54-2
Molecular Formula:
C18H16N4O2
Molecular Weight:
320.3452
MDL Number:
MFCD16619370
IUPAC Name:
methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
InChI:
InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22)
InChI Key:
BECBKQYLJDEVDN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
EC Number:
700-542-4
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.352g/mol
Monoisotopic Mass:
320.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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