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Home > Indoles and Oxindole > 827318-32-1
827318-32-1 | Benzamide, N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]-
CAS No: 827318-32-1 Catalog No: AG0058Q7 MDL No:
Product Description
Catalog Number:
AG0058Q7
Chemical Name:
Benzamide, N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]-
CAS Number:
827318-32-1
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
N-[2-(1H-pyrazol-4-yl)-1H-indol-4-yl]benzamide
InChI:
InChI=1S/C18H14N4O/c23-18(12-5-2-1-3-6-12)22-16-8-4-7-15-14(16)9-17(21-15)13-10-19-20-11-13/h1-11,21H,(H,19,20)(H,22,23)
InChI Key:
QXXIFJYBMLCMFC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cccc2c1cc([nH]2)c1c[nH]nc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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