3-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 3-fluorobenzoate
Chemical Structure Depiction of
3-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 3-fluorobenzoate
3-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 3-fluorobenzoate
Compound characteristics
| Compound ID: | 8005-0675 |
| Compound Name: | 3-[(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 3-fluorobenzoate |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C30 H33 F N2 O4 |
| Smiles: | CC(C)(C)CC(C)(C)c1ccc(cc1)OCC(N/N=C/c1cccc(c1)OC(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0956 |
| logD: | 7.0954 |
| logSw: | -5.753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.218 |
| InChI Key: | PTRNHLXWLNZFQU-UHFFFAOYSA-N |