4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4870 |
| Compound Name: | 4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 387.38 |
| Molecular Formula: | C18 H9 N7 O2 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)Sc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3112 |
| logD: | 3.3112 |
| logSw: | -3.8334 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 100.981 |
| InChI Key: | MNTFGAJVSSGHKC-UHFFFAOYSA-N |