COMPUTED DESCRIPTORS
Molecular Weight | 477.3 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 9 |
Exact Mass | 476.0905772 g/mol |
Monoisotopic Mass | 476.0905772 g/mol |
Topological Polar Surface Area | 95.9 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 738 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid is a carboxylic ester. It is functionally related to a benzyl alcohol.