96514-07-7
Product Name:
4-CHLORO-3-[2-(1-BENZYL-3,5-DIOXO-2-PHENYL-1,2,4-TRIAZOLIDIN-4-YL)-4,4-DIMETHYL-3-OXOVALERYAMINO]BENZOIC ACID 1-(DODECYLOXYCARBONYL)PENTYL ESTER
Formula:
C47H61ClN4O8
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COMPUTED DESCRIPTORS
Molecular Weight | 845.5 g/mol |
---|---|
XLogP3 | 13.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 27 |
Exact Mass | 844.4177926 g/mol |
Monoisotopic Mass | 844.4177926 g/mol |
Topological Polar Surface Area | 143 Ų |
Heavy Atom Count | 60 |
Formal Charge | 0 |
Complexity | 1390 |
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 |