2-(4-butoxyphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0978 |
| Compound Name: | 2-(4-butoxyphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C28 H36 N2 O4 |
| Smiles: | CCCCCCCCOc1ccc(cc1)N/C=C1/C(=O)OC(c2ccc(cc2)OCCCC)=N1 |
| Stereo: | ACHIRAL |
| logP: | 7.9446 |
| logD: | 7.9443 |
| logSw: | -5.7644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.812 |
| InChI Key: | UCWPSSMOCLBLJI-UHFFFAOYSA-N |