499771-09-4
Product Name:
METHYL 3-AMINO-4-CYANO-5-PIPERIDINOTHIOPHENE-2-CARBOXYLATE
Formula:
C12H15N3O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 2.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 265.33 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 265.08849790 g/mol |
| Monoisotopic Mass | 265.08849790 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 362 |
| 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 |