4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 4-nitrobenzoate
4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8005-6990 |
| Compound Name: | 4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 4-nitrobenzoate |
| Molecular Weight: | 491.46 |
| Molecular Formula: | C25 H21 N3 O8 |
| Smiles: | CCOc1cc(/C=N/NC(c2ccc3c(c2)OCCO3)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3253 |
| logD: | 3.3248 |
| logSw: | -3.7349 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.434 |
| InChI Key: | HTQMHONCMOVXLQ-UHFFFAOYSA-N |