338772-44-4
Product Name:
1-[3-(4-FLUOROPHENYL)-2,1-BENZISOXAZOL-5-YL]-1-ETHANONE N-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]HYDRAZONE
Formula:
C21H13ClF4N4O
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 448.8 g/mol |
---|---|
XLogP3 | 6.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 448.0714014 g/mol |
Monoisotopic Mass | 448.0714014 g/mol |
Topological Polar Surface Area | 63.3 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 643 |
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 |