32634-40-5
Product Name:
5-CARBETHOXY-1-ETHYL-3-(3-SULFOPROPYL)-2-[3-(5-CARBETHOXY-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1H-BENZIMIDAZOLIUM INNER SALT
Formula:
C32H40N4O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 624.7 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 624.26177080 g/mol |
| Monoisotopic Mass | 624.26177080 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |