53918-53-9
Product Name:
2-[(4-CARBOXY-PHENOXY)-4,4-DIMETHYL-3-OXO-PENTANOIC ACID-[2- CHLOR-5- [4-(2,4-DI-TERT-PENTYL-PHENOXY)-BUTYRAMIDO]]-ANILIDE
Formula:
C40H51ClN2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 707.3 g/mol |
|---|---|
| XLogP3 | 10.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 17 |
| Exact Mass | 706.3384797 g/mol |
| Monoisotopic Mass | 706.3384797 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1140 |
| 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 |