N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-3308 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 386.54 |
| Molecular Formula: | C19 H22 N4 O S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)Sc1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.412 |
| logD: | 2.9581 |
| logSw: | -4.3163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.007 |
| InChI Key: | LQKVBZOLQQBYFL-HNNXBMFYSA-N |