872728-85-3
Product Name:
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate
Formula:
C27H29N7O3.C7H8O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 671.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 671.25260310 g/mol |
| Monoisotopic Mass | 671.25260310 g/mol |
| Topological Polar Surface Area | 202 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 994 |
| 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 |