4-(3-methylbutyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]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-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-(3-methylbutyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0891 |
| Compound Name: | 4-(3-methylbutyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CC(C)CCN1C2=NN(Cc3ccc(cc3)N3CCCC3=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8125 |
| logD: | 3.8125 |
| logSw: | -3.8073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.02 |
| InChI Key: | JWIDQBMCPDREJY-UHFFFAOYSA-N |