(6S)-N-[3-(azepan-1-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-(azepan-1-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-(azepan-1-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: | SD69-0652 |
Compound Name: | (6S)-N-[3-(azepan-1-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: | 362.47 |
Molecular Formula: | C18 H30 N6 O2 |
Smiles: | CC(C)[C@H]1Cn2c(C(N1)=O)c(C(NCCCN1CCCCCC1)=O)nn2 |
Stereo: | ABSOLUTE |
logP: | 0.7692 |
logD: | -1.8015 |
logSw: | -1.1815 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.415 |
InChI Key: | YUPBHIRXTPSNPF-CQSZACIVSA-N |