methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0034 |
| Compound Name: | methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate |
| Molecular Weight: | 387.37 |
| Molecular Formula: | C19 H18 F N3 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9384 |
| logD: | 2.9384 |
| logSw: | -3.311 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.702 |
| InChI Key: | GGEUSMBSPSIOAN-UHFFFAOYSA-N |