4-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 5627-0057 |
| Compound Name: | 4-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 379.47 |
| Molecular Formula: | C19 H25 N O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(/C=C/C(O)=O)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3172 |
| logD: | -0.1411 |
| logSw: | -4.2516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.24 |
| InChI Key: | SEOHGKRVDZVGKM-LLVKDONJSA-N |