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827016-79-5 | 1H-Indole, 5,6-dichloro-2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-
CAS No: 827016-79-5 Catalog No: AG004WJI MDL No:
Product Description
Catalog Number:
AG004WJI
Chemical Name:
1H-Indole, 5,6-dichloro-2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-
CAS Number:
827016-79-5
Molecular Formula:
C22H24Cl2N2
Molecular Weight:
387.3454
IUPAC Name:
5,6-dichloro-2-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole
InChI:
InChI=1S/C22H24Cl2N2/c1-14-4-3-5-15(2)22(14)16-6-8-26(9-7-16)13-18-10-17-11-19(23)20(24)12-21(17)25-18/h3-5,10-12,16,25H,6-9,13H2,1-2H3
InChI Key:
OZCWAPJGNVMZGB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C1CCN(CC1)Cc1[nH]c2c(c1)cc(c(c2)Cl)Cl)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.348g/mol
Monoisotopic Mass:
386.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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