2-methylpropyl 4-[(2-methoxy-5-{[2-(3-nitrobenzoyl)hydrazinylidene]methyl}phenyl)methoxy]benzoate
Chemical Structure Depiction of
2-methylpropyl 4-[(2-methoxy-5-{[2-(3-nitrobenzoyl)hydrazinylidene]methyl}phenyl)methoxy]benzoate
2-methylpropyl 4-[(2-methoxy-5-{[2-(3-nitrobenzoyl)hydrazinylidene]methyl}phenyl)methoxy]benzoate
Compound characteristics
| Compound ID: | K087-0392 |
| Compound Name: | 2-methylpropyl 4-[(2-methoxy-5-{[2-(3-nitrobenzoyl)hydrazinylidene]methyl}phenyl)methoxy]benzoate |
| Molecular Weight: | 505.53 |
| Molecular Formula: | C27 H27 N3 O7 |
| Smiles: | [H]C(\c1ccc(c(COc2ccc(cc2)C(=O)OCC(C)C)c1)OC)=N/NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7518 |
| logD: | 5.73 |
| logSw: | -5.6375 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.923 |
| InChI Key: | NSPQOGAJFIFGIN-UHFFFAOYSA-N |