4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-1,2-oxazol-5(4H)-one
4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 3696-0198 |
| Compound Name: | 4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3cc(C)c(C)cc3[N+]([O-])=O)o2)C(=O)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 3.8125 |
| logD: | 3.8125 |
| logSw: | -4.091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.786 |
| InChI Key: | CUHKLWYDZVROBW-UHFFFAOYSA-N |