2-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
2-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
2-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V017-6837 |
| Compound Name: | 2-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C27 H27 F2 N5 O2 |
| Salt: | not_available |
| Smiles: | C=CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6617 |
| logD: | 3.6599 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | TUPLPCWDFIXNLB-UHFFFAOYSA-N |