N-(3-chloro-4-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5834 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C22 H23 Cl N6 O3 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccc(C)c(c1)[Cl])=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1352 |
| logD: | 4.135 |
| logSw: | -4.3904 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.78 |
| InChI Key: | JPQWUSZMYMKQBH-UHFFFAOYSA-N |