2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0878 |
| Compound Name: | 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CN1C(N2C(=N1)N(CCC(C)C)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8729 |
| logD: | 3.8729 |
| logSw: | -3.9005 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.574 |
| InChI Key: | HWHXWJZSMRNCPF-UHFFFAOYSA-N |