1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SC19-0306 |
| Compound Name: | 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C22 H29 F N4 O2 |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)C(Cc2ccccc2F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6223 |
| logD: | -2.875 |
| logSw: | -1.8996 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.51 |
| InChI Key: | GAKAQMDYGPSORD-UHFFFAOYSA-N |