4-[(4-cyanophenoxy)carbonyl]phenyl 4-heptylbenzoate
Chemical Structure Depiction of
4-[(4-cyanophenoxy)carbonyl]phenyl 4-heptylbenzoate
4-[(4-cyanophenoxy)carbonyl]phenyl 4-heptylbenzoate
Compound characteristics
| Compound ID: | 0054-0129 |
| Compound Name: | 4-[(4-cyanophenoxy)carbonyl]phenyl 4-heptylbenzoate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C28 H27 N O4 |
| Smiles: | CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5587 |
| logD: | 7.5587 |
| logSw: | -5.7351 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.05 |
| InChI Key: | SAFXDBOAWDVEGJ-UHFFFAOYSA-N |