7-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethylphenoxy)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-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0354 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 427.49 |
| Molecular Formula: | C22 H17 N7 O S |
| Smiles: | Cc1cccc(C)c1OCc1nc2c3cnn(c3ncn2n1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.111 |
| logD: | 5.1106 |
| logSw: | -5.0438 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.64 |
| InChI Key: | LGUAPFSWXCRXNB-UHFFFAOYSA-N |