(6S)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Chemical Structure Depiction of
(6S)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
(6S)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Compound characteristics
| Compound ID: | SD69-0660 |
| Compound Name: | (6S)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6-(propan-2-yl)-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@H]1Cn2c(C(N1)=O)c(C(NCCCN1CCc3ccccc3C1)=O)nn2 |
| Stereo: | ABSOLUTE |
| logP: | 1.2228 |
| logD: | 0.0729 |
| logSw: | -2.1155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.746 |
| InChI Key: | SVTDEHNNBPOMQV-QGZVFWFLSA-N |