N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
Compound ID: | 8013-1670 |
Compound Name: | N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
Molecular Weight: | 444.44 |
Molecular Formula: | C25 H20 N2 O6 |
Smiles: | CCCCOc1ccccc1NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.2334 |
logD: | 5.337 |
logSw: | -5.5517 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.858 |
InChI Key: | CKYFJXAGSQHXAG-UHFFFAOYSA-N |