896312-55-3
Product Name:
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,4-diethoxybenzoate
Formula:
C20H21N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.5 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 431.11510657 g/mol |
| Monoisotopic Mass | 431.11510657 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 686 |
| 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 |