161532-65-6
Product Name:
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-(1-ethylpropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)-
Formula:
C37H42F2N8O3
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 684.8 g/mol |
---|---|
XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 12 |
Exact Mass | 684.33479356 g/mol |
Monoisotopic Mass | 684.33479356 g/mol |
Topological Polar Surface Area | 91.6 Ų |
Heavy Atom Count | 50 |
Formal Charge | 0 |
Complexity | 1130 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |