92598-99-7
Product Name:
1H-Imidazole-5-butanoic acid, α-ethyl-β-(hydroxymethyl)-1-methyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester, [S-(R*,S*)]- (9CI)
Formula:
C22H32N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 372.5 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 372.24129289 g/mol |
| Monoisotopic Mass | 372.24129289 g/mol |
| Topological Polar Surface Area | 64.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |