477766-82-8
Product Name:
4-(5-[(4-NITROPHENYL)METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLAN-3-YL)-4-AZATRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE
Formula:
C19H13N3O5S2
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COMPUTED DESCRIPTORS
Molecular Weight | 427.5 g/mol |
---|---|
XLogP3 | 3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Exact Mass | 427.02966287 g/mol |
Monoisotopic Mass | 427.02966287 g/mol |
Topological Polar Surface Area | 161 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 872 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |