ethyl 4-(4-bromophenyl)-2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromophenyl)-2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}thiophene-3-carboxylate
ethyl 4-(4-bromophenyl)-2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0431 |
| Compound Name: | ethyl 4-(4-bromophenyl)-2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}thiophene-3-carboxylate |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C22 H22 Br N O4 S |
| Smiles: | CCOC(c1c(csc1/N=C/C1C(CC(C)(C)CC1=O)=O)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4654 |
| logD: | 2.8028 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.33 |
| InChI Key: | NKCCNCBLLZNEPD-UHFFFAOYSA-N |