2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y203-3532 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C20 H19 N3 O S3 |
| Smiles: | CCC1CCc2c(C#N)c(NC(CSc3nc4ccccc4s3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8082 |
| logD: | 4.7754 |
| logSw: | -5.6554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.969 |
| InChI Key: | CYGBRRFCVPHZDU-GFCCVEGCSA-N |