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827318-31-0 | Butanamide, N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]-
CAS No: 827318-31-0 Catalog No: AG0058Q8 MDL No:
Product Description
Catalog Number:
AG0058Q8
Chemical Name:
Butanamide, N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]-
CAS Number:
827318-31-0
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
IUPAC Name:
N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]butanamide
InChI:
InChI=1S/C15H16N4O/c1-2-3-15(20)18-12-5-4-10-6-13(19-14(10)7-12)11-8-16-17-9-11/h4-9,19H,2-3H2,1H3,(H,16,17)(H,18,20)
InChI Key:
DDVWTMCJBGRGOV-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1ccc2c(c1)[nH]c(c2)c1c[nH]nc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.32g/mol
Monoisotopic Mass:
268.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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