2-(4-chloro-3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-chloro-3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(4-chloro-3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 1894-9040 |
| Compound Name: | 2-(4-chloro-3-nitrophenyl)-4-{[4-(octyloxy)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C24 H25 Cl N2 O5 |
| Smiles: | CCCCCCCCOc1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9574 |
| logD: | 6.9574 |
| logSw: | -6.4824 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.874 |
| InChI Key: | HZWZUBWZBBPYRJ-UHFFFAOYSA-N |