1161415-28-6
Product Name:
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester
Formula:
C20H37N3O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 415.5 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 415.26823591 g/mol |
| Monoisotopic Mass | 415.26823591 g/mol |
| Topological Polar Surface Area | 99.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 526 |
| 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 |