310427-28-2
Product Name:
ethyl 4-(2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Formula:
C29H29FN6O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 640.7 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 13 |
| Exact Mass | 640.15740318 g/mol |
| Monoisotopic Mass | 640.15740318 g/mol |
| Topological Polar Surface Area | 186 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1070 |
| 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 |