4-{[4-(octyloxy)anilino]methylidene}-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[4-(octyloxy)anilino]methylidene}-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-{[4-(octyloxy)anilino]methylidene}-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0256 |
| Compound Name: | 4-{[4-(octyloxy)anilino]methylidene}-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C27 H34 N2 O6 |
| Smiles: | CCCCCCCCOc1ccc(cc1)N/C=C1/C(=O)OC(c2cc(c(c(c2)OC)OC)OC)=N1 |
| Stereo: | ACHIRAL |
| logP: | 6.1442 |
| logD: | 6.144 |
| logSw: | -5.3263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.372 |
| InChI Key: | XTWNZZPZSBKKHL-UHFFFAOYSA-N |