ethyl 2-pentanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-pentanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-pentanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-0212 |
| Compound Name: | ethyl 2-pentanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C16 H23 N O3 S |
| Smiles: | CCCCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8013 |
| logD: | 1.4775 |
| logSw: | -3.989 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | HVKGYCOXJBODAG-UHFFFAOYSA-N |