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Home > Indoles and Oxindole > 1000776-43-1
1000776-43-1 | 1H-Indole, 1,2-dimethyl-3-[2-(2-methylbenzo[b]thien-3-yl)-1-cyclohexen-1-yl]-
CAS No: 1000776-43-1 Catalog No: AG0000UC MDL No:
Product Description
Catalog Number:
AG0000UC
Chemical Name:
1H-Indole, 1,2-dimethyl-3-[2-(2-methylbenzo[b]thien-3-yl)-1-cyclohexen-1-yl]-
CAS Number:
1000776-43-1
Molecular Formula:
C25H25NS
Molecular Weight:
371.5377
IUPAC Name:
1,2-dimethyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]indole
InChI:
InChI=1S/C25H25NS/c1-16-24(20-12-6-8-14-22(20)26(16)3)18-10-4-5-11-19(18)25-17(2)27-23-15-9-7-13-21(23)25/h6-9,12-15H,4-5,10-11H2,1-3H3
InChI Key:
YFWLIXAIIFTMCK-UHFFFAOYSA-N
SMILES:
Cc1sc2c(c1C1=C(CCCC1)c1c(C)n(c3c1cccc3)C)cccc2
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.542g/mol
Monoisotopic Mass:
371.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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