N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Compound characteristics
Compound ID: | Y043-1925 |
Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide |
Molecular Weight: | 415.49 |
Molecular Formula: | C18 H17 N5 O3 S2 |
Smiles: | Cc1cc(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c2c(C)nn(C)c2n1 |
Stereo: | ACHIRAL |
logP: | 1.6526 |
logD: | 1.6469 |
logSw: | -2.7406 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.463 |
InChI Key: | YLKWZMYVVRKFPB-UHFFFAOYSA-N |