2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8012-5048 |
| Compound Name: | 2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C21 H19 N7 O3 S3 |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)S(Nc1nccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2504 |
| logD: | 1.8407 |
| logSw: | -2.6195 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.014 |
| InChI Key: | AHXQNWGMZOVMKX-UHFFFAOYSA-N |