ethyl 4-(4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
ethyl 4-(4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3174-1085 |
| Compound Name: | ethyl 4-(4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C21 H20 Br N3 O4 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)[Br])N(C)C)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7595 |
| logD: | 3.6762 |
| logSw: | -4.1215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.017 |
| InChI Key: | ATXNEARNPPRMRP-UHFFFAOYSA-N |