{[(1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(4-methoxybenzoate)
Chemical Structure Depiction of
{[(1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(4-methoxybenzoate)
{[(1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(4-methoxybenzoate)
Compound characteristics
Compound ID: | 8004-8695 |
Compound Name: | {[(1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(4-methoxybenzoate) |
Molecular Weight: | 698.6 |
Molecular Formula: | C33 H26 N6 O12 |
Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(/C=N/NC(CC(N/N=C/c2ccc(c(c2)[N+]([O-])=O)OC(c2ccc(cc2)OC)=O)=O)=O)cc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.845 |
logD: | 3.8447 |
logSw: | -4.2491 |
Hydrogen bond acceptors count: | 22 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 192.892 |
InChI Key: | JUXLKKPHHOBCSB-UHFFFAOYSA-N |