N-(4-nitrophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-nitrophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3698-0047 |
| Compound Name: | N-(4-nitrophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0949 |
| logD: | 4.0934 |
| logSw: | -4.0423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.488 |
| InChI Key: | GVCBULPDPRPDLJ-UHFFFAOYSA-N |