(6S)-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-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-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
(6S)-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Compound characteristics
| Compound ID: | SD69-0470 |
| Compound Name: | (6S)-N-{[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | CC(C)C[C@H]1Cn2c(C(N1)=O)c(C(NCc1cn[nH]c1c1cccc(c1)OC)=O)nn2 |
| Stereo: | ABSOLUTE |
| logP: | 1.8643 |
| logD: | 1.8643 |
| logSw: | -2.172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.1 |
| InChI Key: | APOUNHQGAAVMKK-HNNXBMFYSA-N |