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Home > Pyridines > 861209-83-8
861209-83-8 | 1,3-dimethyl 2-[5-(4-tert-butylbenzamido)pyridin-2-yl]propanedioate
CAS No: 861209-83-8 Catalog No: AG00IOFY MDL No:MFCD03617950
Product Description
Catalog Number:
AG00IOFY
Chemical Name:
1,3-dimethyl 2-[5-(4-tert-butylbenzamido)pyridin-2-yl]propanedioate
CAS Number:
861209-83-8
Molecular Formula:
C21H24N2O5
Molecular Weight:
384.4257
MDL Number:
MFCD03617950
IUPAC Name:
dimethyl 2-[5-[(4-tert-butylbenzoyl)amino]pyridin-2-yl]propanedioate
InChI:
InChI=1S/C21H24N2O5/c1-21(2,3)14-8-6-13(7-9-14)18(24)23-15-10-11-16(22-12-15)17(19(25)27-4)20(26)28-5/h6-12,17H,1-5H3,(H,23,24)
InChI Key:
VUAXCOJSBGKKGU-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cn1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)OC
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.432g/mol
Monoisotopic Mass:
384.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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