N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-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: | P580-0883 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(NCc4ccc5c(c4)OCO5)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.0084 |
| logD: | 2.008 |
| logSw: | -2.7881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.124 |
| InChI Key: | CFQWCZJJEOKVHO-UHFFFAOYSA-N |