2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 5471-0131 |
| Compound Name: | 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C19 H24 N4 O2 S2 |
| Smiles: | CCC(C(Nc1c(C(N)=O)c2CCCCc2s1)=O)Sc1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7292 |
| logD: | 2.1853 |
| logSw: | -3.1339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.01 |
| InChI Key: | PSRDAGQAYAWARE-ZDUSSCGKSA-N |