2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 4981-0543 |
| Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C22 H21 N5 O3 S3 |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC(Nc1ccc(cc1)S(Nc1nccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0948 |
| logD: | 3.6851 |
| logSw: | -4.1953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.8 |
| InChI Key: | KNLAGMJVWIKOBV-UHFFFAOYSA-N |