318256-27-8
Product Name:
N-(TERT-BUTYL)-2-(3-NITRO-2-PYRIDINYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXAMIDE
Formula:
C19H22N4O3
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COMPUTED DESCRIPTORS
Molecular Weight | 354.4 g/mol |
---|---|
XLogP3 | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 354.16919058 g/mol |
Monoisotopic Mass | 354.16919058 g/mol |
Topological Polar Surface Area | 91 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 528 |
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 |