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1087784-46-0 | N-[(3,4-dimethoxyphenyl)methyl]-1H-imidazole-1-carboxamide
CAS No: 1087784-46-0 Catalog No: AG019MWS MDL No:MFCD11099570
Product Description
Catalog Number:
AG019MWS
Chemical Name:
N-[(3,4-dimethoxyphenyl)methyl]-1H-imidazole-1-carboxamide
CAS Number:
1087784-46-0
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
MDL Number:
MFCD11099570
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]imidazole-1-carboxamide
InChI:
InChI=1S/C13H15N3O3/c1-18-11-4-3-10(7-12(11)19-2)8-15-13(17)16-6-5-14-9-16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChI Key:
KYURVXIVBFPDEK-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)n2cncc2)ccc1OC
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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