8-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Chemical Structure Depiction of
8-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0035 |
| Compound Name: | 8-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C16 H18 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(CC1C2=NNC(N2CCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2022 |
| logD: | 1.1854 |
| logSw: | -2.0005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.302 |
| InChI Key: | HNYJTXVHYIHHDJ-ZDUSSCGKSA-N |