methyl 4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
methyl 4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0142 |
| Compound Name: | methyl 4-(4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 463.4 |
| Molecular Formula: | C23 H17 N3 O8 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.655 |
| logD: | 3.5641 |
| logSw: | -4.1362 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.128 |
| InChI Key: | VNMLMCZKFKVSRU-UHFFFAOYSA-N |