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86811-46-3 | 2-((2-CARBOXYPHENOXY)CARBONYL)PHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
CAS No: 86811-46-3 Catalog No: AG004J2U MDL No:
Product Description
Catalog Number:
AG004J2U
Chemical Name:
2-((2-CARBOXYPHENOXY)CARBONYL)PHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
CAS Number:
86811-46-3
Molecular Formula:
C33H23ClNO8-
Molecular Weight:
596.9906
IUPAC Name:
2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid
InChI:
InChI=1S/C33H24ClNO8/c1-19-25(26-17-22(41-2)15-16-27(26)35(19)31(37)20-11-13-21(34)14-12-20)18-30(36)42-29-10-6-4-8-24(29)33(40)43-28-9-5-3-7-23(28)32(38)39/h3-17H,18H2,1-2H3,(H,38,39)
InChI Key:
HSTCMJJFYYQQRG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1c1ccccc1C(=O)Oc1ccccc1C(=O)O)c(CC(=O)[O-])c(n2C(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
597.119g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
598.004g/mol
Monoisotopic Mass:
597.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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