N-benzyl-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-benzyl-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Compound characteristics
Compound ID: | P580-0869 |
Compound Name: | N-benzyl-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
Molecular Weight: | 367.43 |
Molecular Formula: | C18 H17 N5 O2 S |
Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(NCc4ccccc4)=O)c3C2=O)S1 |
Stereo: | ACHIRAL |
logP: | 2.0953 |
logD: | 2.0949 |
logSw: | -2.7879 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.009 |
InChI Key: | BNOGJZOVXRAXCP-UHFFFAOYSA-N |