2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-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-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
Compound characteristics
| Compound ID: | D026-0028 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide |
| Molecular Weight: | 540.46 |
| Molecular Formula: | C22 H18 Br N7 O S2 |
| Smiles: | Cc1ccc(cc1)C1CSC(NC(CSc2nc3c(c4cc(ccc4n3C)[Br])nn2)=O)=NN=1 |
| Stereo: | ACHIRAL |
| logP: | 4.7435 |
| logD: | 4.7426 |
| logSw: | -4.5246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.621 |
| InChI Key: | VYFYKDHYUWPYTI-UHFFFAOYSA-N |