4-(3-methylbutyl)-2-[2-(4-methylphenyl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-(3-methylbutyl)-2-[2-(4-methylphenyl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-(3-methylbutyl)-2-[2-(4-methylphenyl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0881 |
| Compound Name: | 4-(3-methylbutyl)-2-[2-(4-methylphenyl)-2-oxoethyl]-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)CCN1C2=NN(CC(c3ccc(C)cc3)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9274 |
| logD: | 3.9274 |
| logSw: | -3.9089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.451 |
| InChI Key: | ZBMKVPAOPQZRLW-UHFFFAOYSA-N |