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Home > Indoles and Oxindole > 1427325-88-9
1427325-88-9 | 1-(1-pentyl-1H-indol-3-yl)-2-(m-tolyl)ethanone
CAS No: 1427325-88-9 Catalog No: AG01EOXD MDL No:
Product Description
Catalog Number:
AG01EOXD
Chemical Name:
1-(1-pentyl-1H-indol-3-yl)-2-(m-tolyl)ethanone
CAS Number:
1427325-88-9
Molecular Formula:
C22H25NO
Molecular Weight:
319.4400
IUPAC Name:
2-(3-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
InChI:
InChI=1S/C22H25NO/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-18-10-8-9-17(2)14-18/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
InChI Key:
DQMIYWJJSIRLSK-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)Cc1cccc(c1)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.448g/mol
Monoisotopic Mass:
319.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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