477709-40-3
Product Name:
2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-4-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXAN-5-YL)-1-BUTENE-1,1,3-TRICARBONITRILE, TRIETHYLAMINE SALT
Formula:
C26H31N5O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 509.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 509.22743373 g/mol |
| Monoisotopic Mass | 509.22743373 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 916 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |