211914-50-0
Product Name:
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
Formula:
C27H30ClN7O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 536.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 535.2098655 g/mol |
| Monoisotopic Mass | 535.2098655 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 788 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |