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Home > Indoles and Oxindole > 316145-75-2
316145-75-2 | 1-BENZYL-2-METHYL-3-[2-(3-METHYLBENZO[B]THIOPHEN-2-YL)CYCLOHEX-1-ENYL]-1H-INDOLE
CAS No: 316145-75-2 Catalog No: AG007IU9 MDL No:
Product Description
Catalog Number:
AG007IU9
Chemical Name:
1-BENZYL-2-METHYL-3-[2-(3-METHYLBENZO[B]THIOPHEN-2-YL)CYCLOHEX-1-ENYL]-1H-INDOLE
CAS Number:
316145-75-2
Molecular Formula:
C31H29NS
Molecular Weight:
447.6337
IUPAC Name:
1-benzyl-2-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)cyclohexen-1-yl]indole
InChI:
InChI=1S/C31H29NS/c1-21-24-14-9-11-19-29(24)33-31(21)26-16-7-6-15-25(26)30-22(2)32(20-23-12-4-3-5-13-23)28-18-10-8-17-27(28)30/h3-5,8-14,17-19H,6-7,15-16,20H2,1-2H3
InChI Key:
LXPCLLLOCZHTQD-UHFFFAOYSA-N
SMILES:
Cc1c(sc2c1cccc2)C1=C(CCCC1)c1c(C)n(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.202g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.64g/mol
Monoisotopic Mass:
447.202g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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