3-ethyl-2-[3-(3-ethyl-1,3-oxazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
3-ethyl-2-[3-(3-ethyl-1,3-oxazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
3-ethyl-2-[3-(3-ethyl-1,3-oxazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0455-0021 |
| Compound Name: | 3-ethyl-2-[3-(3-ethyl-1,3-oxazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C13 H21 N2 O2 |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | CCN1CCOC/1=C/C=C/C1=[N+](CC)CCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.7843 |
| logD: | 1.784 |
| logSw: | -1.5156 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 22.6254 |
| InChI Key: | WUKRBMPMKWKFSY-UHFFFAOYSA-N |