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1000700-26-4 | 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester
CAS No: 1000700-26-4 Catalog No: AG0000TQ MDL No:
Product Description
Catalog Number:
AG0000TQ
Chemical Name:
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester
CAS Number:
1000700-26-4
Molecular Formula:
C28H20ClNO4S3
Molecular Weight:
566.1107
IUPAC Name:
[4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI:
InChI=1S/C28H20ClNO4S3/c1-16-22(14-26(31)34-20-9-5-17(6-10-20)25-15-27(35)37-36-25)23-13-21(33-2)11-12-24(23)30(16)28(32)18-3-7-19(29)8-4-18/h3-13,15H,14H2,1-2H3
InChI Key:
SJLZXDOBSHEDIF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CC(=O)Oc1ccc(cc1)c1ssc(=S)c1)c(n2C(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
900
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.024g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.101g/mol
Monoisotopic Mass:
565.024g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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