879463-52-2
Product Name:
methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Formula:
C14H14N6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 330.37 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 330.08989488 g/mol |
| Monoisotopic Mass | 330.08989488 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |