2-{[5-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2-{[5-(prop-2-en-1-yl)-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: | 8012-9941 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C23 H19 N7 O3 S3 |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(Nc1nccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6134 |
| logD: | 3.2036 |
| logSw: | -3.875 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.234 |
| InChI Key: | OYTLQMDPRSVLDM-UHFFFAOYSA-N |