4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-{3-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl}butanamide
Chemical Structure Depiction of
4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-{3-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl}butanamide
4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-{3-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl}butanamide
Compound characteristics
| Compound ID: | 0104-0023 |
| Compound Name: | 4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-{3-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl}butanamide |
| Molecular Weight: | 591.19 |
| Molecular Formula: | C35 H43 Cl N2 O4 |
| Smiles: | CC(C)(C)Cc1ccc(c(CC(C)(C)C)c1)OCCCC(Nc1cccc(c1)C(CC(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9472 |
| logD: | 7.9404 |
| logSw: | -6.4039 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.048 |
| InChI Key: | RQHBIBVUKZBXNX-UHFFFAOYSA-N |