338399-31-8
Product Name:
2-([5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-4,5-DIHYDRO-3-ISOXAZOLYL]CARBONYL)-N-(4-NITROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE
Formula:
C18H15ClF3N7O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 517.9 g/mol |
---|---|
XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 5 |
Exact Mass | 517.0546853 g/mol |
Monoisotopic Mass | 517.0546853 g/mol |
Topological Polar Surface Area | 178 Ų |
Heavy Atom Count | 34 |
Formal Charge | 0 |
Complexity | 793 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |