477866-13-0
Product Name:
ETHYL 5-CYANO-6-[(2,4-DICHLOROBENZYL)AMINO]-2-PHENYLNICOTINATE
Formula:
C22H17Cl2N3O2
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COMPUTED DESCRIPTORS
Molecular Weight | 426.3 g/mol |
---|---|
XLogP3 | 6.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Exact Mass | 425.0697822 g/mol |
Monoisotopic Mass | 425.0697822 g/mol |
Topological Polar Surface Area | 75 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 590 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |