4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide
Chemical Structure Depiction of
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide
Compound characteristics
| Compound ID: | 0105-0067 |
| Compound Name: | 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide |
| Molecular Weight: | 621.22 |
| Molecular Formula: | C36 H45 Cl N2 O5 |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC(Nc1ccc(c(c1)NC(CC(c1ccccc1OC)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.9724 |
| logD: | 7.9655 |
| logSw: | -6.4228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.678 |
| InChI Key: | JKIBNXXEMFYHLT-UHFFFAOYSA-N |