N-(2-chlorophenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5843 |
| Compound Name: | N-(2-chlorophenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 505.02 |
| Molecular Formula: | C21 H21 Cl N6 O3 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccccc1[Cl])=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7958 |
| logD: | 2.7956 |
| logSw: | -3.4639 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.082 |
| InChI Key: | QZARNWDBSUCBHQ-UHFFFAOYSA-N |