685106-53-0
Product Name:
11-AMINO-2,3-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-PYRIMIDO[4',5':4,5]PYRIDO[2,1-A]ISOQUINOLIN-8-ONE
Formula:
C17H18N4O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >49 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 326.35 g/mol |
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XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 326.13789045 g/mol |
Monoisotopic Mass | 326.13789045 g/mol |
Topological Polar Surface Area | 90.6 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 491 |
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 |