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827318-38-7 | Butanamide, 3-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]-
CAS No: 827318-38-7 Catalog No: AG0058J8 MDL No:
Product Description
Catalog Number:
AG0058J8
Chemical Name:
Butanamide, 3-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]-
CAS Number:
827318-38-7
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
3-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]butanamide
InChI:
InChI=1S/C16H18N4O/c1-10(2)6-16(21)20-14-5-3-4-13-12(14)7-15(19-13)11-8-17-18-9-11/h3-5,7-10,19H,6H2,1-2H3,(H,17,18)(H,20,21)
InChI Key:
AWMVEABMPHEVMJ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1cccc2c1cc([nH]2)c1c[nH]nc1)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:
3
Isotope Atom Count:
0
Molecular Weight:
282.347g/mol
Monoisotopic Mass:
282.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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