ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4-phenylthiophene-3-carboxylate
ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0423 |
| Compound Name: | ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C22 H23 N O4 S |
| Smiles: | CCOC(c1c(csc1/N=C/C1C(CC(C)(C)CC1=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5264 |
| logD: | 1.8639 |
| logSw: | -3.7322 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.33 |
| InChI Key: | ZWNJBNLRNAVTDJ-UHFFFAOYSA-N |