729563-00-2
Product Name:
Benzamide, N-[[(2-cyanoethyl)(3-pyridinylmethyl)amino]thioxomethyl]-3,4,5-trimethoxy-
Formula:
C20H22N4O4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 59.3 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.5 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 414.13617637 g/mol |
| Monoisotopic Mass | 414.13617637 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |