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827318-40-1 | Butanamide, 3-methyl-N-[2-(1H-pyrazol-1-yl)-1H-indol-4-yl]-
CAS No: 827318-40-1 Catalog No: AG004ZWO MDL No:
Product Description
Catalog Number:
AG004ZWO
Chemical Name:
Butanamide, 3-methyl-N-[2-(1H-pyrazol-1-yl)-1H-indol-4-yl]-
CAS Number:
827318-40-1
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
3-methyl-N-(2-pyrazol-1-yl-1H-indol-4-yl)butanamide
InChI:
InChI=1S/C16H18N4O/c1-11(2)9-16(21)19-14-6-3-5-13-12(14)10-15(18-13)20-8-4-7-17-20/h3-8,10-11,18H,9H2,1-2H3,(H,19,21)
InChI Key:
JFCBJKIZWMWIFW-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1cccc2c1cc([nH]2)n1cccn1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.347g/mol
Monoisotopic Mass:
282.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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