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162152-04-7 | 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N3,N4,2-trimethyl-5-(phenylmethyl)-
CAS No: 162152-04-7 Catalog No: AG001STU MDL No:
Product Description
Catalog Number:
AG001STU
Chemical Name:
1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N3,N4,2-trimethyl-5-(phenylmethyl)-
CAS Number:
162152-04-7
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
IUPAC Name:
2-benzyl-1-ethyl-3-N,4-N,5-trimethylpyrrole-3,4-dicarboxamide
InChI:
InChI=1S/C18H23N3O2/c1-5-21-12(2)15(17(22)19-3)16(18(23)20-4)14(21)11-13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3,(H,19,22)(H,20,23)
InChI Key:
WPGQYVBZCMEASJ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c(Cc2ccccc2)n(c(c1C(=O)NC)C)CC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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