N-[(4-fluorophenyl)methyl]-3-methyl-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-methyl-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)butanamide
N-[(4-fluorophenyl)methyl]-3-methyl-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)butanamide
Compound characteristics
| Compound ID: | V026-8506 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-methyl-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)butanamide |
| Molecular Weight: | 510.65 |
| Molecular Formula: | C29 H39 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(cc1)NC(CN(Cc1ccc(cc1)F)C(CC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4539 |
| logD: | 4.4536 |
| logSw: | -4.1272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.724 |
| InChI Key: | NXYBATAYTHCZHB-UHFFFAOYSA-N |