3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one
Compound characteristics
Compound ID: | S727-0126 |
Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}propan-1-one |
Molecular Weight: | 343.41 |
Molecular Formula: | C16 H17 N5 O2 S |
Smiles: | C(Cc1nc2ccccc2s1)C(N1CC(C1)n1cc(CO)nn1)=O |
Stereo: | ACHIRAL |
logP: | 0.7721 |
logD: | 0.772 |
logSw: | -1.4412 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.39 |
InChI Key: | UPRFPMYFPFAQSG-UHFFFAOYSA-N |