4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
Chemical Structure Depiction of
4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V026-8554 |
| Compound Name: | 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)benzamide |
| Molecular Weight: | 565.09 |
| Molecular Formula: | C31 H34 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(cc1)NC(CN(Cc1ccc(cc1)F)C(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0562 |
| logD: | 5.0559 |
| logSw: | -5.2392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.98 |
| InChI Key: | JRNCSERKDQRZRA-UHFFFAOYSA-N |