methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C794-0026 |
| Compound Name: | methyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 325.38 |
| Molecular Formula: | C15 H19 N O5 S |
| Smiles: | COC(CCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0605 |
| logD: | -0.3353 |
| logSw: | -2.328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.855 |
| InChI Key: | HCCPEWLYJKJJEC-UHFFFAOYSA-N |