866137-64-6
Product Name:
7-NITRO-2-(2-[4-(4-NITROPHENYL)PIPERAZINO]ETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula:
C20H21N5O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 427.14918341 g/mol |
| Monoisotopic Mass | 427.14918341 g/mol |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 666 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |