2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8013-1659 |
| Compound Name: | 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 601.73 |
| Molecular Formula: | C28 H23 N7 O3 S3 |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(Nc1nccs1)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7151 |
| logD: | 4.3054 |
| logSw: | -4.8161 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.963 |
| InChI Key: | GIWUDHAEHJNPTC-UHFFFAOYSA-N |