2-(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)-N-cyclohexylacetamide
2-(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | Y505-6989 |
| Compound Name: | 2-(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)-N-cyclohexylacetamide |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C21 H28 Cl N7 O |
| Smiles: | Cc1c(cn(C)n1)c1c(c(c2cn(C)nc2C)n(CC(NC2CCCCC2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9641 |
| logD: | 1.964 |
| logSw: | -3.323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.721 |
| InChI Key: | SITSAOVZONTSBE-UHFFFAOYSA-N |