4-benzyl-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-benzyl-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-benzyl-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: | F816-0661 |
| Compound Name: | 4-benzyl-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: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | C1CC(N(C1)c1ccc(CN2C(N3C(=N2)N(Cc2ccccc2)C(c2c3ccs2)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8359 |
| logD: | 3.8359 |
| logSw: | -3.9825 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.77 |
| InChI Key: | HHRQFIZPAXKOSD-UHFFFAOYSA-N |