200,000+ products from a single source!
sales@angenechem.com
141290-29-1 | Benzoic acid, 4-[[2-(1H-indol-3-ylmethylene)-1,3-dioxobutyl]amino]-
CAS No: 141290-29-1 Catalog No: AG001G5Y MDL No:
Product Description
Catalog Number:
AG001G5Y
Chemical Name:
Benzoic acid, 4-[[2-(1H-indol-3-ylmethylene)-1,3-dioxobutyl]amino]-
CAS Number:
141290-29-1
Molecular Formula:
C20H16N2O4
Molecular Weight:
348.3520
IUPAC Name:
4-[[2-(1H-indol-3-ylmethylidene)-3-oxobutanoyl]amino]benzoic acid
InChI:
InChI=1S/C20H16N2O4/c1-12(23)17(10-14-11-21-18-5-3-2-4-16(14)18)19(24)22-15-8-6-13(7-9-15)20(25)26/h2-11,21H,1H3,(H,22,24)(H,25,26)
InChI Key:
GWSRYHMOGFPCNS-UHFFFAOYSA-N
SMILES:
O=C(C(=Cc1c[nH]c2c1cccc2)C(=O)C)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.358g/mol
Monoisotopic Mass:
348.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.