303151-80-6
Product Name:
1-[NITRO(PHENYLSULFONYL)METHYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDE
Formula:
C24H20F3N3O5S
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COMPUTED DESCRIPTORS
Molecular Weight | 519.5 g/mol |
---|---|
XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Exact Mass | 519.10757641 g/mol |
Monoisotopic Mass | 519.10757641 g/mol |
Topological Polar Surface Area | 121 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 898 |
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 |