1-{2-[7-(3-fluoro-4-methoxybenzoyl)-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-fluoro-4-methoxybenzoyl)-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-fluoro-4-methoxybenzoyl)-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: | S923-0383 |
| Compound Name: | 1-{2-[7-(3-fluoro-4-methoxybenzoyl)-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: | 445.49 |
| Molecular Formula: | C22 H28 F N5 O4 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)C(c1ccc(c(c1)F)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4505 |
| logD: | 0.4505 |
| logSw: | -1.6554 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.859 |
| InChI Key: | NUXCXOWWCKQIJJ-KRWDZBQOSA-N |