ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9375 |
| Compound Name: | ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)Sc1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8744 |
| logD: | 2.4045 |
| logSw: | -4.6819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.704 |
| InChI Key: | ARGHGYMQUYXTBC-HNNXBMFYSA-N |