N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V005-0673 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 601.65 |
| Molecular Formula: | C33 H33 F2 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1ccc(nn1)N1CCCN(CC1)C(CN(Cc1ccc(cc1)F)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9899 |
| logD: | 3.8769 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.357 |
| InChI Key: | CRLOLVBUMPFMNE-UHFFFAOYSA-N |