methyl N-{4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl}isoleucinate
Chemical Structure Depiction of
methyl N-{4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl}isoleucinate
methyl N-{4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl}isoleucinate
Compound characteristics
| Compound ID: | Y042-8048 |
| Compound Name: | methyl N-{4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl}isoleucinate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C25 H31 F2 N3 O3 |
| Smiles: | CCC(C)[C@@H](C(=O)OC)NC(N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7041 |
| logD: | 4.6878 |
| logSw: | -4.2672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.389 |
| InChI Key: | DQHVFHRZBSQXOZ-UGNFMNBCSA-N |