301194-24-1
Product Name:
2-[4-(3-CHLOROPHENYL)PIPERAZINO]-4-(4-CYCLOHEXYLPHENYL)-4-OXOBUTANOIC ACID
Formula:
C26H31ClN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.0 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.2023205 g/mol |
| Monoisotopic Mass | 454.2023205 g/mol |
| Topological Polar Surface Area | 60.8 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 623 |
| 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 |