ethyl 4-(4-{[2-(cyanomethoxy)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{[2-(cyanomethoxy)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
ethyl 4-(4-{[2-(cyanomethoxy)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8007-5002 |
| Compound Name: | ethyl 4-(4-{[2-(cyanomethoxy)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C21 H17 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C\c2ccccc2OCC#N)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6436 |
| logD: | 2.6003 |
| logSw: | -3.0054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.51 |
| InChI Key: | TVHMTOYVRKGNQU-UHFFFAOYSA-N |