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Home > Indoles and Oxindole > 710945-68-9
710945-68-9 | N-(1H-indol-5-yl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
CAS No: 710945-68-9 Catalog No: AG01CAQO MDL No:MFCD03055944
Product Description
Catalog Number:
AG01CAQO
Chemical Name:
N-(1H-indol-5-yl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
CAS Number:
710945-68-9
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
MDL Number:
MFCD03055944
IUPAC Name:
N-(1H-indol-5-yl)-5-methyl-2-phenyltriazole-4-carboxamide
InChI:
InChI=1S/C18H15N5O/c1-12-17(22-23(21-12)15-5-3-2-4-6-15)18(24)20-14-7-8-16-13(11-14)9-10-19-16/h2-11,19H,1H3,(H,20,24)
InChI Key:
HQDXPMZHUWUMTA-UHFFFAOYSA-N
SMILES:
O=C(c1nn(nc1C)c1ccccc1)Nc1ccc2c(c1)cc[nH]2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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