337920-94-2
Product Name:
DIMETHYL 5-(4-BROMOPHENYL)-2,2-DIOXO-2,3-DIHYDRO-1H-2LAMBDA6-PYRROLO[1,2-C][1,3]THIAZOLE-6,7-DICARBOXYLATE
Formula:
C16H14BrNO6S
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COMPUTED DESCRIPTORS
Molecular Weight | 428.3 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 426.97252 g/mol |
Monoisotopic Mass | 426.97252 g/mol |
Topological Polar Surface Area | 100 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 640 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |