4-[(3,4-diethoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-[(3,4-diethoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(3,4-diethoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0493 |
| Compound Name: | 4-[(3,4-diethoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | CCOc1ccc(CN2C3=NN(Cc4cccc(C)c4)C(N3c3ccsc3C2=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.76 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.374 |
| InChI Key: | URHRZBDNIANNIL-UHFFFAOYSA-N |