2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0860 |
| Compound Name: | 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | Cc1ccc(C)c(c1)C(CN1C(N2C(=N1)N(Cc1ccccc1OC)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4102 |
| logD: | 4.4102 |
| logSw: | -4.4271 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.831 |
| InChI Key: | QBGQEJRAYAJQIV-UHFFFAOYSA-N |