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Home > Indoles and Oxindole > 658699-92-4
658699-92-4 | 1H-Indole, 3-[6-butyl-2-(2-thienyl)-4-pyrimidinyl]-
CAS No: 658699-92-4 Catalog No: AG006N2K MDL No:
Product Description
Catalog Number:
AG006N2K
Chemical Name:
1H-Indole, 3-[6-butyl-2-(2-thienyl)-4-pyrimidinyl]-
CAS Number:
658699-92-4
Molecular Formula:
C20H19N3S
Molecular Weight:
333.4500
IUPAC Name:
3-(6-butyl-2-thiophen-2-ylpyrimidin-4-yl)-1H-indole
InChI:
InChI=1S/C20H19N3S/c1-2-3-7-14-12-18(23-20(22-14)19-10-6-11-24-19)16-13-21-17-9-5-4-8-15(16)17/h4-6,8-13,21H,2-3,7H2,1H3
InChI Key:
HQDVBEKJJJQOMS-UHFFFAOYSA-N
SMILES:
CCCCc1cc(nc(n1)c1cccs1)c1c[nH]c2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.453g/mol
Monoisotopic Mass:
333.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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