methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0033 |
| Compound Name: | methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate |
| Molecular Weight: | 403.82 |
| Molecular Formula: | C19 H18 Cl N3 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3714 |
| logD: | 3.3714 |
| logSw: | -3.7582 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.702 |
| InChI Key: | BTXAWRKEMFXORL-UHFFFAOYSA-N |