2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0894 |
| Compound Name: | 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CC(C)CN1C2=NN(CC(c3cc(C)ccc3C)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0974 |
| logD: | 4.0974 |
| logSw: | -4.2764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.472 |
| InChI Key: | OAICMEOKZXFIGW-UHFFFAOYSA-N |