846590-92-9
Product Name:
(5Z)-5-[[4-(azepan-1-ium-1-yl)phenyl]methylidene]-1-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate
Formula:
C18H21N3O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 2.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 343.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 343.13544809 g/mol |
| Monoisotopic Mass | 343.13544809 g/mol |
| Topological Polar Surface Area | 84.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 545 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |