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212322-56-0 | ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
CAS No: 212322-56-0 Catalog No: AG0035XD MDL No:MFCD09833624
Product Description
Catalog Number:
AG0035XD
Chemical Name:
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
CAS Number:
212322-56-0
Molecular Formula:
C18H22N4O3
Molecular Weight:
342.3923
MDL Number:
MFCD09833624
IUPAC Name:
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
InChI:
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3
InChI Key:
PCPATNZTKBOKOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN(C(=O)c1ccc(c(c1)N)NC)c1ccccn1
EC Number:
606-728-0
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.399g/mol
Monoisotopic Mass:
342.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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