321432-67-1
Product Name:
2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-MORPHOLINO-4-PHENYL-3-BUTENENITRILE
Formula:
C20H17ClF3N3O
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COMPUTED DESCRIPTORS
Molecular Weight | 407.8 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Exact Mass | 407.1012244 g/mol |
Monoisotopic Mass | 407.1012244 g/mol |
Topological Polar Surface Area | 49.2 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 593 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |