ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0417 |
| Compound Name: | ethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C20 H25 N O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/C1C(CC(C)(C)CC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1044 |
| logD: | 1.4418 |
| logSw: | -3.062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.522 |
| InChI Key: | SZSLJJHOUFXMOA-UHFFFAOYSA-N |