2-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(3-chlorophenyl)methyl]-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: | C200-7476 |
| Compound Name: | 2-[(3-chlorophenyl)methyl]-4-[(3,4-diethoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 511 |
| Molecular Formula: | C25 H23 Cl N4 O4 S |
| Smiles: | CCOc1ccc(CN2C3=NN(Cc4cccc(c4)[Cl])C(N3c3ccsc3C2=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.7688 |
| logD: | 4.7688 |
| logSw: | -4.7786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.374 |
| InChI Key: | LFFYTFQEFKHIDX-UHFFFAOYSA-N |