478040-97-0
Product Name:
METHYL 4-(4-[4-(METHOXYCARBONYL)-2-NITROPHENYL]-1,4-DIAZEPAN-1-YL)-3-NITROBENZENECARBOXYLATE
Formula:
C21H22N4O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 458.14376367 g/mol |
| Monoisotopic Mass | 458.14376367 g/mol |
| Topological Polar Surface Area | 151 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 679 |
| 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 |