31888-96-7
Product Name:
3'-[[1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl]carbamoyl]-2-(m-pentadecylphenoxy)butyranilide
Formula:
C43H57ClN4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 729.4 g/mol |
|---|---|
| XLogP3 | 13.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 22 |
| Exact Mass | 728.4068340 g/mol |
| Monoisotopic Mass | 728.4068340 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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 |