7-(1,3-benzothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(1,3-benzothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0359 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 443.49 |
| Molecular Formula: | C22 H17 N7 O2 S |
| Smiles: | COc1ccc(Cc2nc3c4cnn(c4ncn3n2)c2nc3ccccc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9848 |
| logD: | 3.983 |
| logSw: | -4.1601 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.228 |
| InChI Key: | SYZXLVXWVLLWMN-UHFFFAOYSA-N |