7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-1176 |
| Compound Name: | 7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | CC1=NN(CCCC(N2CCc3ccccc3C2)=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2096 |
| logD: | 2.2082 |
| logSw: | -2.5562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.881 |
| InChI Key: | YHALNUGSNJYSRX-UHFFFAOYSA-N |