N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-4926 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C18 H19 N7 O S3 |
| Smiles: | CCSc1nnc(NC(CSc2nc3c(c4ccccc4n3C(C)C)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1762 |
| logD: | 4.1739 |
| logSw: | -4.0499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.109 |
| InChI Key: | LCISVALKNBUXQJ-UHFFFAOYSA-N |