2-[(4-bromophenyl)sulfanyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-N-heptylbenzamide
Chemical Structure Depiction of
2-[(4-bromophenyl)sulfanyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-N-heptylbenzamide
2-[(4-bromophenyl)sulfanyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-N-heptylbenzamide
Compound characteristics
| Compound ID: | K781-5346 |
| Compound Name: | 2-[(4-bromophenyl)sulfanyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-N-heptylbenzamide |
| Molecular Weight: | 581.63 |
| Molecular Formula: | C27 H37 Br N2 O3 S2 |
| Smiles: | CCCCCCCNC(c1cc(ccc1Sc1ccc(cc1)[Br])S(N1CC(C)CC(C)C1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.4962 |
| logD: | 8.4962 |
| logSw: | -5.732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.071 |
| InChI Key: | SXLKKNQEXLJICU-UHFFFAOYSA-N |