2-(4-chloro-3-nitrophenyl)-4-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-chloro-3-nitrophenyl)-4-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(4-chloro-3-nitrophenyl)-4-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8013-8966 |
| Compound Name: | 2-(4-chloro-3-nitrophenyl)-4-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 414.84 |
| Molecular Formula: | C21 H19 Cl N2 O5 |
| Smiles: | CC(C)c1cc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)c(C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0495 |
| logD: | 5.0495 |
| logSw: | -5.4816 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.087 |
| InChI Key: | VLWXTHNPLPUECC-UHFFFAOYSA-N |