2-methylpropyl 4-[(5-{[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]methyl}-2-methoxyphenyl)methoxy]benzoate
Chemical Structure Depiction of
2-methylpropyl 4-[(5-{[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]methyl}-2-methoxyphenyl)methoxy]benzoate
2-methylpropyl 4-[(5-{[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]methyl}-2-methoxyphenyl)methoxy]benzoate
Compound characteristics
| Compound ID: | K087-0205 |
| Compound Name: | 2-methylpropyl 4-[(5-{[2-(2-chloro-4-nitrobenzoyl)hydrazinylidene]methyl}-2-methoxyphenyl)methoxy]benzoate |
| Molecular Weight: | 539.97 |
| Molecular Formula: | C27 H26 Cl N3 O7 |
| Smiles: | [H]C(\c1ccc(c(COc2ccc(cc2)C(=O)OCC(C)C)c1)OC)=N/NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1351 |
| logD: | 6.1147 |
| logSw: | -6.2256 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.923 |
| InChI Key: | SMDCDPWEJOZMDM-UHFFFAOYSA-N |