4-(4-bromoanilino)-2,6-di(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(4-bromoanilino)-2,6-di(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate
4-(4-bromoanilino)-2,6-di(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0285-0070 |
| Compound Name: | 4-(4-bromoanilino)-2,6-di(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 502.47 |
| Molecular Formula: | C25 H28 Br N O3 S |
| Smiles: | CC(C)c1cc(cc(C(C)C)c1OS(c1ccc(C)cc1)(=O)=O)Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.8675 |
| logD: | 7.8675 |
| logSw: | -5.801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.086 |
| InChI Key: | PCMXMFLLYGJTKS-UHFFFAOYSA-N |