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114365-22-9 | 1H-Indole-5-carboxamide, 3-[2-(dimethylamino)ethyl]-N-2-propyn-1-yl-
CAS No: 114365-22-9 Catalog No: AG000B6D MDL No:
Product Description
Catalog Number:
AG000B6D
Chemical Name:
1H-Indole-5-carboxamide, 3-[2-(dimethylamino)ethyl]-N-2-propyn-1-yl-
CAS Number:
114365-22-9
Molecular Formula:
C16H19N3O
Molecular Weight:
269.3416
IUPAC Name:
3-[2-(dimethylamino)ethyl]-N-prop-2-ynyl-1H-indole-5-carboxamide
InChI:
InChI=1S/C16H19N3O/c1-4-8-17-16(20)12-5-6-15-14(10-12)13(11-18-15)7-9-19(2)3/h1,5-6,10-11,18H,7-9H2,2-3H3,(H,17,20)
InChI Key:
HSMGGDISPZCLKW-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc2c(c1)c(CCN(C)C)c[nH]2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.348g/mol
Monoisotopic Mass:
269.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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