4-butyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-butyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-butyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0509 |
| Compound Name: | 4-butyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(N3CCc4ccccc4C3)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1961 |
| logD: | 3.1961 |
| logSw: | -3.3069 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.258 |
| InChI Key: | SKNCSRQXGNPCLX-UHFFFAOYSA-N |