2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-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-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0544 |
| Compound Name: | 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CC(C)c1ccc(CN2C3=NN(CC(c4ccc(C)cc4C)=O)C(N3c3ccsc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9237 |
| logD: | 5.9237 |
| logSw: | -5.4616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.201 |
| InChI Key: | MFJPRAUVIRBXTB-UHFFFAOYSA-N |