2-(3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 1894-8683 |
| Compound Name: | 2-(3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C24 H26 N2 O5 |
| Smiles: | CCCCCCCCOc1ccc(\C=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6882 |
| logD: | 6.6882 |
| logSw: | -5.6761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.175 |
| InChI Key: | XXLDOKRFQKMXFF-UHFFFAOYSA-N |