4-(butan-2-yl)-1-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(butan-2-yl)-1-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(butan-2-yl)-1-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0657 |
| Compound Name: | 4-(butan-2-yl)-1-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCC(C)N1C(c2c(ccs2)n2c(CCCC(N3CCc4ccccc4C3)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4661 |
| logD: | 3.4661 |
| logSw: | -3.7211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.356 |
| InChI Key: | SHLOTPFGQOLOLT-INIZCTEOSA-N |