2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | P580-0499 |
| Compound Name: | 2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(Nc4cc(c(c(c4)OC)OC)OC)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.8981 |
| logD: | 1.8968 |
| logSw: | -2.7139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.665 |
| InChI Key: | HOUPUUBDIMKCBS-UHFFFAOYSA-N |