2-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
2-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8002-9639 |
| Compound Name: | 2-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C30 H33 N3 O6 |
| Smiles: | CC(C)(C)CC(C)(C)c1ccc(cc1)OCC(N/N=C/c1ccccc1OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.224 |
| logD: | 7.2235 |
| logSw: | -5.8216 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.686 |
| InChI Key: | OOQKDIXYBJIPMC-UHFFFAOYSA-N |