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76812-43-6 | 1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-ethoxy-2-oxoethyl ester
CAS No: 76812-43-6 Catalog No: AG005I87 MDL No:
Product Description
Catalog Number:
AG005I87
Chemical Name:
1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-ethoxy-2-oxoethyl ester
CAS Number:
76812-43-6
Molecular Formula:
C23H22ClNO6
Molecular Weight:
443.8769
IUPAC Name:
(2-ethoxy-2-oxoethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI:
InChI=1S/C23H22ClNO6/c1-4-30-22(27)13-31-21(26)12-18-14(2)25(20-10-9-17(29-3)11-19(18)20)23(28)15-5-7-16(24)8-6-15/h5-11H,4,12-13H2,1-3H3
InChI Key:
LJPQBEUXEDLQEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.114g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.88g/mol
Monoisotopic Mass:
443.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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