578733-75-2
Product Name:
methyl 4-(2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Formula:
C20H19N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.5 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 409.12086066 g/mol |
| Monoisotopic Mass | 409.12086066 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 570 |
| 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 |