321433-42-5
Product Name:
DIMETHYL 5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-4,6-DIOXOTETRAHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-3,3(3AH)-DICARBOXYLATE
Formula:
C16H14ClF3N4O7
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COMPUTED DESCRIPTORS
Molecular Weight | 466.75 g/mol |
---|---|
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 6 |
Exact Mass | 466.0503110 g/mol |
Monoisotopic Mass | 466.0503110 g/mol |
Topological Polar Surface Area | 127 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 782 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |