80712-35-2
Product Name:
Benzoic acid, 4-(4-((((dimethylamino)carbonyl)methylamino)carbonyl)-1- piperazinyl)-, hydrate (4:1)
Formula:
C16H22N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 334.37 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 334.16410520 g/mol |
| Monoisotopic Mass | 334.16410520 g/mol |
| Topological Polar Surface Area | 84.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 481 |
| 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 |