4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
Chemical Structure Depiction of
4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V005-5946 |
| Compound Name: | 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide |
| Molecular Weight: | 548.63 |
| Molecular Formula: | C31 H34 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(cc1)NC(CN(Cc1ccc(cc1)F)C(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4906 |
| logD: | 4.4903 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.98 |
| InChI Key: | ZVTRQFMEYCOKKV-UHFFFAOYSA-N |