339012-80-5
Product Name:
3-(3-CHLORO-2-THIENYL)-3-OXOPROPANAL O-(2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-2-OXOETHYL)OXIME
Formula:
C19H17Cl2F3N4O3S
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COMPUTED DESCRIPTORS
Molecular Weight | 509.3 g/mol |
---|---|
XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 7 |
Exact Mass | 508.0350515 g/mol |
Monoisotopic Mass | 508.0350515 g/mol |
Topological Polar Surface Area | 103 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 695 |
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 |