1-{2-[7-(2,5-difluorobenzoyl)-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-(2,5-difluorobenzoyl)-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-(2,5-difluorobenzoyl)-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: | S923-0385 |
| Compound Name: | 1-{2-[7-(2,5-difluorobenzoyl)-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: | 433.46 |
| Molecular Formula: | C21 H25 F2 N5 O3 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)C(c1cc(ccc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8987 |
| logD: | 0.8987 |
| logSw: | -2.0135 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.229 |
| InChI Key: | CSPAZDRIVFKLHX-KRWDZBQOSA-N |