2-(4-methylphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-methylphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0050 |
| Compound Name: | 2-(4-methylphenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C25 H30 N2 O3 |
| Smiles: | CCCCCCCCOc1ccc(cc1)N/C=C1/C(=O)OC(c2ccc(C)cc2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 6.9356 |
| logD: | 6.9354 |
| logSw: | -5.6971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.394 |
| InChI Key: | IQQHGWJKPSPYJF-UHFFFAOYSA-N |