2447007-60-3
Product Name:
Benzoic acid, 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]-, hydrochloride, hydrate (1:1:1)
Formula:
C25H33ClN2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 477.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 476.2077999 g/mol |
| Monoisotopic Mass | 476.2077999 g/mol |
| Topological Polar Surface Area | 75.8 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 594 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |