7-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1121 |
| Compound Name: | 7-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCC(C(N1CCc2ccccc2C1)=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8822 |
| logD: | 3.8822 |
| logSw: | -3.9149 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.094 |
| InChI Key: | DUCSDEGRNQLSGG-KRWDZBQOSA-N |