361149-44-2
Product Name:
N-((5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide
Formula:
C31H27FN6O2S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 630.8 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 630.13416581 g/mol |
| Monoisotopic Mass | 630.13416581 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 979 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |