326915-37-1
Product Name:
2-AMINO-4-(3,4-DIMETHOXYPHENYL)-5-OXO-4,6,7,8-TETRAHYDRO2H-CHROMENE-3-CARBONITRILE
Formula:
C18H18N2O4
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 | 326.3 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 326.12665706 g/mol |
Monoisotopic Mass | 326.12665706 g/mol |
Topological Polar Surface Area | 94.6 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 643 |
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 |