1-{2-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{2-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
1-{2-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S923-0463 |
| Compound Name: | 1-{2-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C20 H28 N6 O4 |
| Smiles: | Cc1c(C(N2CCc3nnc(C4CCCCN4C(COC)=O)n3CC2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4271 |
| logD: | -0.4271 |
| logSw: | -0.0783 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.267 |
| InChI Key: | JOVKAFLJFRTMLB-HNNXBMFYSA-N |