2-[(5'-acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5'-acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
2-[(5'-acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8001-5684 |
| Compound Name: | 2-[(5'-acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C23 H19 N5 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1nc2ccccc2s1)=O)c1cccnc1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3237 |
| logD: | 1.2146 |
| logSw: | -3.287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.086 |
| InChI Key: | WOCOKRLRWZIFPF-NRFANRHFSA-N |