907971-28-2
Product Name:
ethyl 2-(cyanomethylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:
C12H13N5O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 291.33 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 291.07899585 g/mol |
| Monoisotopic Mass | 291.07899585 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 412 |
| 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 |