2-benzyl-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-benzyl-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-benzyl-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0494 |
| Compound Name: | 2-benzyl-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CCOc1ccc(CN2C3=NN(Cc4ccccc4)C(N3c3ccsc3C2=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1134 |
| logD: | 4.1134 |
| logSw: | -4.1618 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.374 |
| InChI Key: | IBBAESMQLBSPEL-UHFFFAOYSA-N |