2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
Compound ID: | D049-0316 |
Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
Molecular Weight: | 449.94 |
Molecular Formula: | C20 H12 Cl N7 S2 |
Smiles: | C(c1nc2c3cnn(c4ccc(cc4)[Cl])c3ncn2n1)Sc1nc2ccccc2s1 |
Stereo: | ACHIRAL |
logP: | 5.2689 |
logD: | 5.2678 |
logSw: | -6.0799 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.514 |
InChI Key: | NORMSPPXCIQEMK-UHFFFAOYSA-N |