2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0813 |
| Compound Name: | 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | Cc1ccc(C(CN2C(N3C(=N2)N(CCc2ccccc2)C(c2c3ccs2)=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6846 |
| logD: | 4.6846 |
| logSw: | -4.4257 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.179 |
| InChI Key: | JZWCBCOXCHXNMM-UHFFFAOYSA-N |