1-{2-[7-(furan-2-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-(furan-2-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-(furan-2-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: | S923-0442 |
| Compound Name: | 1-{2-[7-(furan-2-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: | 387.44 |
| Molecular Formula: | C19 H25 N5 O4 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)C(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1591 |
| logD: | -0.1591 |
| logSw: | -0.977 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.807 |
| InChI Key: | RJGWZCUFEPYLJS-AWEZNQCLSA-N |