(6S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Chemical Structure Depiction of
(6S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
(6S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Compound characteristics
| Compound ID: | SD69-0523 |
| Compound Name: | (6S)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | CC(C)C[C@H]1Cn2c(C(N1)=O)c(C(NCCN1CCc3ccccc3C1)=O)nn2 |
| Stereo: | ABSOLUTE |
| logP: | 1.5694 |
| logD: | 1.3514 |
| logSw: | -2.1501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.852 |
| InChI Key: | XZSGJAPCCLTGEM-KRWDZBQOSA-N |