200,000+ products from a single source!
sales@angenechem.com
141581-93-3 | 1-Pyrrolidineacetic acid, 3-[[(1-methyl-2-phenylethyl)amino]methylene]-2,4-dioxo-, ethyl ester
CAS No: 141581-93-3 Catalog No: AG001GN0 MDL No:
Product Description
Catalog Number:
AG001GN0
Chemical Name:
1-Pyrrolidineacetic acid, 3-[[(1-methyl-2-phenylethyl)amino]methylene]-2,4-dioxo-, ethyl ester
CAS Number:
141581-93-3
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
IUPAC Name:
ethyl 2-[3-hydroxy-5-oxo-4-(1-phenylpropan-2-yliminomethyl)-2H-pyrrol-1-yl]acetate
InChI:
InChI=1S/C18H22N2O4/c1-3-24-17(22)12-20-11-16(21)15(18(20)23)10-19-13(2)9-14-7-5-4-6-8-14/h4-8,10,13,21H,3,9,11-12H2,1-2H3
InChI Key:
VQECQKVMQPZBEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CC(=O)C(=CNC(Cc2ccccc2)C)C1=O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.