N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-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: | P580-0508 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
Molecular Weight: | 397.41 |
Molecular Formula: | C18 H15 N5 O4 S |
Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(Nc4ccc5c(c4)OCO5)=O)c3C2=O)S1 |
Stereo: | ACHIRAL |
logP: | 2.3506 |
logD: | 2.3502 |
logSw: | -2.9565 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.802 |
InChI Key: | FCPLCKJGEZJWHY-UHFFFAOYSA-N |