1025612-65-0
Product Name:
2-((1,1-DIETHYLPROP-2-YNYL)AMINO)-1-((4-BROMOPHENYL)SULFONYL)-1-NITROETHENE
Formula:
C15H17BrN2O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 401.3 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Exact Mass | 400.00924 g/mol |
Monoisotopic Mass | 400.00924 g/mol |
Topological Polar Surface Area | 100 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 598 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |