879470-58-3
Product Name:
ethyl 4-[[2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Formula:
C23H23N7O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 477.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 477.15830879 g/mol |
| Monoisotopic Mass | 477.15830879 g/mol |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 34 |
| 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 |