7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-0313 |
| Compound Name: | 7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C21 H20 N4 O3 |
| Smiles: | CCC1=NN(CC(N2CCc3ccccc3C2)=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3374 |
| logD: | 2.3374 |
| logSw: | -2.6253 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.994 |
| InChI Key: | CUGKHPLQBXITOO-UHFFFAOYSA-N |