1219086-88-0
Product Name:
D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-diMethylpropyl)-, 1,1-diMethylethyl ester, (3S,4R,5S)-rel-
Formula:
C27H30Cl2F2N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 523.4 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 522.1652399 g/mol |
| Monoisotopic Mass | 522.1652399 g/mol |
| Topological Polar Surface Area | 62.1 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 820 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |