2-[4-(heptyloxy)phenyl]-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-[4-(heptyloxy)phenyl]-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-[4-(heptyloxy)phenyl]-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0315 |
| Compound Name: | 2-[4-(heptyloxy)phenyl]-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | CCCCCCCOc1ccc(cc1)C1=NC(=C/c2cccc(c2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.0806 |
| logD: | 6.0806 |
| logSw: | -5.3554 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.175 |
| InChI Key: | ZPMDMYYJYLHMNU-UHFFFAOYSA-N |