866039-52-3
Product Name:
2-(3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-2-YL)ETHYL 4-NITROBENZENECARBOXYLATE
Formula:
C16H13N3O6
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COMPUTED DESCRIPTORS
Molecular Weight | 343.29 g/mol |
---|---|
XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Exact Mass | 343.08043514 g/mol |
Monoisotopic Mass | 343.08043514 g/mol |
Topological Polar Surface Area | 123 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 515 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |