2097625-94-8
Product Name:
1,3-Dioxolane-4-methanol, 2-phenyl-2-(2H-1,2,3-triazol-2-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4S)-rel-
Formula:
C20H21N3O5S
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COMPUTED DESCRIPTORS
Molecular Weight | 415.5 g/mol |
---|---|
XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Exact Mass | 415.12019195 g/mol |
Monoisotopic Mass | 415.12019195 g/mol |
Topological Polar Surface Area | 101 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 623 |
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 |