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116336-84-6 | 1H-Indole-4-carboxamide, N-(2-mercaptoethyl)-6-[(1-oxodecyl)amino]-
CAS No: 116336-84-6 Catalog No: AG000C7W MDL No:
Product Description
Catalog Number:
AG000C7W
Chemical Name:
1H-Indole-4-carboxamide, N-(2-mercaptoethyl)-6-[(1-oxodecyl)amino]-
CAS Number:
116336-84-6
Molecular Formula:
C21H31N3O2S
Molecular Weight:
389.5547
IUPAC Name:
6-(decanoylamino)-N-(2-sulfanylethyl)-1H-indole-4-carboxamide
InChI:
InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-20(25)24-16-14-18(21(26)23-12-13-27)17-10-11-22-19(17)15-16/h10-11,14-15,22,27H,2-9,12-13H2,1H3,(H,23,26)(H,24,25)
InChI Key:
QLLOIUKQYUACKX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Nc1cc(C(=O)NCCS)c2c(c1)[nH]cc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.214g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
389.558g/mol
Monoisotopic Mass:
389.214g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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