1~1~,1~3~,2~4~,3~1~,3~3~-pentamethyl-2~1~-(3-methylphenyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Chemical Structure Depiction of
1~1~,1~3~,2~4~,3~1~,3~3~-pentamethyl-2~1~-(3-methylphenyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
1~1~,1~3~,2~4~,3~1~,3~3~-pentamethyl-2~1~-(3-methylphenyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | Y505-7002 |
| Compound Name: | 1~1~,1~3~,2~4~,3~1~,3~3~-pentamethyl-2~1~-(3-methylphenyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C21 H24 N6 |
| Smiles: | Cc1cccc(c1)n1c(c2cn(C)nc2C)c(C)c(c2cn(C)nc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9397 |
| logD: | 2.9397 |
| logSw: | -3.0861 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 43.66 |
| InChI Key: | KLTLGNQDJHLUAR-UHFFFAOYSA-N |