2-(4-nitrophenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-nitrophenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0153 |
| Compound Name: | 2-(4-nitrophenyl)-4-{[4-(octyloxy)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H27 N3 O5 |
| Smiles: | CCCCCCCCOc1ccc(cc1)N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 6.4379 |
| logD: | 6.4376 |
| logSw: | -5.6618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.776 |
| InChI Key: | ACZPKOGLEXCFJW-UHFFFAOYSA-N |