N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D026-0036 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C29 H25 N7 O S2 |
| Smiles: | Cc1ccc(cc1)C1CSC(NC(CSc2nc3c(c4ccccc4n3CCc3ccccc3)nn2)=O)=NN=1 |
| Stereo: | ACHIRAL |
| logP: | 5.9318 |
| logD: | 5.9308 |
| logSw: | -5.6842 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.518 |
| InChI Key: | XBQPHTUDXJKJTC-UHFFFAOYSA-N |