1031434-02-2
Product Name:
METHYL 3-NITRO-4-(4-[5-(2-THIENYL)-1H-PYRAZOL-3-YL]PIPERIDINO)BENZENECARBOXYLATE
Formula:
C20H20N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.12052631 g/mol |
| Monoisotopic Mass | 412.12052631 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 596 |
| 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 |