3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
Chemical Structure Depiction of
3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 4095-0071 |
| Compound Name: | 3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C22 H27 N O4 S |
| Smiles: | C[N+](C)(CCCS([O-])(=O)=O)CC#CCOC(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8476 |
| logD: | 1.8476 |
| logSw: | -2.1677 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.514 |
| InChI Key: | TUZAMMGJSZKERE-UHFFFAOYSA-N |