693793-53-2
Product Name:
Atorvastatin Related Compound C
Formula:
C33H36CaF2N2O5
Synonyms:
(βR,δR)-2,3-Bis(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 615.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 615.1983443 g/mol |
| Monoisotopic Mass | 615.1983443 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 1 |
| Complexity | 850 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |