3-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
3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
3-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: | V017-6849 |
| Compound Name: | 3-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(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5649 |
| logD: | 3.563 |
| logSw: | -3.6625 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | PVKSXBBYZSFPTA-UHFFFAOYSA-N |