4-cyanophenyl 2-chloro-4-[(4-pentylbenzoyl)oxy]benzoate
Chemical Structure Depiction of
4-cyanophenyl 2-chloro-4-[(4-pentylbenzoyl)oxy]benzoate
4-cyanophenyl 2-chloro-4-[(4-pentylbenzoyl)oxy]benzoate
Compound characteristics
| Compound ID: | 0054-0232 |
| Compound Name: | 4-cyanophenyl 2-chloro-4-[(4-pentylbenzoyl)oxy]benzoate |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C26 H22 Cl N O4 |
| Smiles: | CCCCCc1ccc(cc1)C(=O)Oc1ccc(C(=O)Oc2ccc(C#N)cc2)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.3989 |
| logD: | 7.3989 |
| logSw: | -6.4489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.05 |
| InChI Key: | VMHZPWQTARQKDE-UHFFFAOYSA-N |