7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methylthieno[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]-2-methylthieno[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]-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-3151 |
| Compound Name: | 7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | Cc1cc2c(cc3C(N(CC(N4CCc5ccccc5C4)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5746 |
| logD: | 2.5746 |
| logSw: | -2.7965 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.756 |
| InChI Key: | VLHLBNRAFIZSGK-UHFFFAOYSA-N |