methyl 2-(3-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(3-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y700-0425 |
| Compound Name: | methyl 2-(3-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 295.35 |
| Molecular Formula: | C14 H17 N O4 S |
| Smiles: | CC(CC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7283 |
| logD: | -0.6498 |
| logSw: | -2.062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.612 |
| InChI Key: | VXVGPROKROFUAT-UHFFFAOYSA-N |