1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]oxazol-1-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]oxazol-1-ium--4-methylbenzene-1-sulfonate (1/1)
1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]oxazol-1-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2421-1120 |
| Compound Name: | 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]oxazol-1-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 604.73 |
| Molecular Formula: | C29 H25 N2 O2 |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | CCN1/C(=C/C=C/c2[n+](CC)c3c4ccccc4ccc3o2)Oc2ccc3ccccc3c12 |
| Stereo: | ACHIRAL |
| logP: | 7.6343 |
| logD: | 7.6343 |
| logSw: | -6.8841 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 17.8585 |
| InChI Key: | OJVKTLIEOIDYQI-UHFFFAOYSA-N |