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1601-18-9 | 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
CAS No: 1601-18-9 Catalog No: AG001RO2 MDL No:MFCD01719291
Product Description
Catalog Number:
AG001RO2
Chemical Name:
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
CAS Number:
1601-18-9
Molecular Formula:
C20H18ClNO4
Molecular Weight:
371.8142
MDL Number:
MFCD01719291
IUPAC Name:
methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI:
InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChI Key:
OKHORWCUMZIORR-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
EC Number:
216-494-8
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.817g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Synthesis, pharmacological evaluation and docking studies of new sulindac analogues. | European journal of medicinal chemistry 20090501 |
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