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Home > Indoles and Oxindole > 1000776-42-0
1000776-42-0 | 1H-Indole, 1-butyl-2-methyl-3-[2-(3-methylbenzo[b]thien-2-yl)-1-cyclohexen-1-yl]-
CAS No: 1000776-42-0 Catalog No: AG0000UD MDL No:
Product Description
Catalog Number:
AG0000UD
Chemical Name:
1H-Indole, 1-butyl-2-methyl-3-[2-(3-methylbenzo[b]thien-2-yl)-1-cyclohexen-1-yl]-
CAS Number:
1000776-42-0
Molecular Formula:
C28H31NS
Molecular Weight:
413.6174
IUPAC Name:
1-butyl-2-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)cyclohexen-1-yl]indole
InChI:
InChI=1S/C28H31NS/c1-4-5-18-29-20(3)27(24-15-8-10-16-25(24)29)22-13-6-7-14-23(22)28-19(2)21-12-9-11-17-26(21)30-28/h8-12,15-17H,4-7,13-14,18H2,1-3H3
InChI Key:
ZDBSUOVXDGBLEE-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c(c1C)C1=C(CCCC1)c1sc2c(c1C)cccc2
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.218g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.623g/mol
Monoisotopic Mass:
413.218g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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