338966-70-4
Product Name:
3-(3-BROMOPHENYL)-2-[5-(4-METHOXYBENZOYL)-2-THIENYL]ACRYLONITRILE
Formula:
C21H14BrNO2S
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 424.3 g/mol |
---|---|
XLogP3 | 5.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 422.99286 g/mol |
Monoisotopic Mass | 422.99286 g/mol |
Topological Polar Surface Area | 78.3 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 576 |
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 |