methyl 2-[2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamido]benzoate
methyl 2-[2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | P580-0520 |
| Compound Name: | methyl 2-[2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamido]benzoate |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(Nc4ccccc4C(=O)OC)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2421 |
| logD: | 2.2031 |
| logSw: | -3.0709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.163 |
| InChI Key: | YWSLQKHQJZFXER-UHFFFAOYSA-N |