N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(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-[(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-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D026-0001 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C21 H17 N7 O S2 |
| Smiles: | Cc1ccc(cc1)C1CSC(NC(CSc2nc3c(c4ccccc4[nH]3)nn2)=O)=NN=1 |
| Stereo: | ACHIRAL |
| logP: | 3.6058 |
| logD: | 3.6049 |
| logSw: | -3.8021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.367 |
| InChI Key: | IAVPJNUYFIKIAM-UHFFFAOYSA-N |