2-(naphthalen-1-yl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(naphthalen-1-yl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(naphthalen-1-yl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0565 |
| Compound Name: | 2-(naphthalen-1-yl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C28 H30 N2 O3 |
| Smiles: | CCCCCCCCOc1ccc(cc1)N\C=C1/C(=O)OC(c2cccc3ccccc23)=N1 |
| Stereo: | ACHIRAL |
| logP: | 7.3931 |
| logD: | 7.3928 |
| logSw: | -6.6688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.123 |
| InChI Key: | PECVOBPXJQXXMJ-UHFFFAOYSA-N |