2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 8009-8374 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 496.43 |
| Molecular Formula: | C16 H14 Br N7 O S3 |
| Smiles: | CCSc1nnc(NC(CSc2nc3c(c4cc(ccc4n3C)[Br])nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1801 |
| logD: | 4.1778 |
| logSw: | -4.2171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.844 |
| InChI Key: | CIPVXOZSCDEQNA-UHFFFAOYSA-N |