2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | 8008-3312 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C20 H19 N3 O S3 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)Sc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9683 |
| logD: | 4.5144 |
| logSw: | -5.5129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.182 |
| InChI Key: | KHSKZPANLFHTBL-HNNXBMFYSA-N |