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827318-28-5 | Propanamide, 2-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]-
CAS No: 827318-28-5 Catalog No: AG004V30 MDL No:
Product Description
Catalog Number:
AG004V30
Chemical Name:
Propanamide, 2-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]-
CAS Number:
827318-28-5
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
IUPAC Name:
2-methyl-N-[2-(1H-pyrazol-4-yl)-1H-indol-6-yl]propanamide
InChI:
InChI=1S/C15H16N4O/c1-9(2)15(20)18-12-4-3-10-5-13(19-14(10)6-12)11-7-16-17-8-11/h3-9,19H,1-2H3,(H,16,17)(H,18,20)
InChI Key:
CTXKAUVOLCKYBF-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc2c(c1)[nH]c(c2)c1c[nH]nc1
Properties
Complexity:
360
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:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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