4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-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-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0076 |
| Compound Name: | 4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CC(C)CCN1C2=NN(Cc3cccc(C)c3)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6724 |
| logD: | 4.6724 |
| logSw: | -4.3809 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.204 |
| InChI Key: | AKZGLQXJJXISEB-UHFFFAOYSA-N |