99348-39-7
Product Name:
2-DODECYL-2-METHYL-1,3-PROPANEDIYL BIS[N-[5'-NITRO(BENZO-15-CROWN-5)-4'-YL]CARBAMATE]
Formula:
C46H70N4O18
Synonyms:
2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5′-nitro(benzo-15-crown-5)-4′-yl]carbamate];BME 44
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COMPUTED DESCRIPTORS
| Molecular Weight | 967.1 g/mol |
|---|---|
| XLogP3 | 9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 19 |
| Exact Mass | 966.46851140 g/mol |
| Monoisotopic Mass | 966.46851140 g/mol |
| Topological Polar Surface Area | 261 Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 1310 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |