4,5-bis(4-butylbenzamido)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl bis(4-butylbenzoate)
Chemical Structure Depiction of
4,5-bis(4-butylbenzamido)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl bis(4-butylbenzoate)
4,5-bis(4-butylbenzamido)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl bis(4-butylbenzoate)
Compound characteristics
| Compound ID: | 0054-0227 |
| Compound Name: | 4,5-bis(4-butylbenzamido)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl bis(4-butylbenzoate) |
| Molecular Weight: | 911.11 |
| Molecular Formula: | C58 H58 N2 O8 |
| Smiles: | CCCCc1ccc(cc1)C(Nc1ccc(c2C(c3c(ccc(c3C(c12)=O)NC(c1ccc(CCCC)cc1)=O)OC(c1ccc(CCCC)cc1)=O)=O)OC(c1ccc(CCCC)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 14.5792 |
| logD: | 14.4927 |
| logSw: | -6.0744 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.896 |
| InChI Key: | TUURDWYVPMIMQB-UHFFFAOYSA-N |