2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3904 |
| Compound Name: | 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 471.95 |
| Molecular Formula: | C24 H22 Cl N9 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])c1nc2c3cnn(c4ccccc4)c3ncn2n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6619 |
| logD: | 4.6298 |
| logSw: | -4.8767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.807 |
| InChI Key: | LRJPMEAEYBKSPH-UHFFFAOYSA-N |