7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethyl-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]-5-ethyl-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]-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C795-0719 |
| Compound Name: | 7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-ethyl-2-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: | CCC1=NN(CC(N2CCc3ccccc3C2)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5518 |
| logD: | 3.5518 |
| logSw: | -3.6371 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.54 |
| InChI Key: | YXELPFHLUDMOIG-UHFFFAOYSA-N |