303152-87-6
Product Name:
[3-ETHOXYCARBONYL-4,5-BIS(HYDROXYMETHYL)-4,5-DIHYDROISOXAZOLE][1-(2,6-DINITRO-4-TRIFLUOROMETHYLPHENYL)-4-PIPERIDONE]KETAL
Formula:
C20H21F3N4O9
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 518.4 g/mol |
---|---|
XLogP3 | 2.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 14 |
Rotatable Bond Count | 4 |
Exact Mass | 518.12606275 g/mol |
Monoisotopic Mass | 518.12606275 g/mol |
Topological Polar Surface Area | 161 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 874 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |