86580-12-3
Product Name:
1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3- (4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy )-, 3-methylbutyl ester, monohydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 679.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 16 |
| Exact Mass | 678.2919234 g/mol |
| Monoisotopic Mass | 678.2919234 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 944 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |