N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4-nitrobenzamide
N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8004-3352 |
| Compound Name: | N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4-nitrobenzamide |
| Molecular Weight: | 594.15 |
| Molecular Formula: | C33 H40 Cl N3 O5 |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC(Nc1ccc(c(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 8.5404 |
| logD: | 8.5384 |
| logSw: | -6.5513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.396 |
| InChI Key: | MKPXRXOYEKASPK-UHFFFAOYSA-N |