7-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0319 |
| Compound Name: | 7-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 420.86 |
| Molecular Formula: | C21 H17 Cl N6 O2 |
| Smiles: | COc1ccc(Cc2nc3c4cnn(c5ccc(cc5)[Cl])c4ncn3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7489 |
| logD: | 3.7416 |
| logSw: | -4.078 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.693 |
| InChI Key: | NIMXTWTWFVOTBN-UHFFFAOYSA-N |