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Home > Indoles and Oxindole > 1427521-36-5
1427521-36-5 | 3-[(4-ethyl-1-naphthalenyl)carbonyl]-1H-indole-1-pentanoicacid
CAS No: 1427521-36-5 Catalog No: AG01EOXG MDL No:
Product Description
Catalog Number:
AG01EOXG
Chemical Name:
3-[(4-ethyl-1-naphthalenyl)carbonyl]-1H-indole-1-pentanoicacid
CAS Number:
1427521-36-5
Molecular Formula:
C26H25NO3
Molecular Weight:
399.4816
IUPAC Name:
5-[3-(4-ethylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
InChI:
InChI=1S/C26H25NO3/c1-2-18-14-15-22(20-10-4-3-9-19(18)20)26(30)23-17-27(16-8-7-13-25(28)29)24-12-6-5-11-21(23)24/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,28,29)
InChI Key:
PKGSQKIUCYVUDF-UHFFFAOYSA-N
SMILES:
CCc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCCCC(=O)O
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.49g/mol
Monoisotopic Mass:
399.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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