2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(3,4-dimethyl-1,2-oxazol-5-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-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 6083-0040 |
| Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C24 H25 N5 O4 S2 |
| Smiles: | Cc1c(C)noc1NS(c1ccc(cc1)NC(CSc1c(C#N)cc2CCCCCc2n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1735 |
| logD: | 2.1644 |
| logSw: | -4.1464 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.986 |
| InChI Key: | HAFBNDMAOWSKGB-UHFFFAOYSA-N |