3-(oxan-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
3-(oxan-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-(oxan-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | CM4409-3528 |
| Compound Name: | 3-(oxan-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C18 H26 N6 O2 |
| Smiles: | C1Cc2nnc(C3CCOCC3)n2CCC1C(NCCn1cccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0243 |
| logD: | 0.024 |
| logSw: | -0.6596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.391 |
| InChI Key: | DNLSFUUEUOAFEF-HNNXBMFYSA-N |