methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8008-6684 |
| Compound Name: | methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C19 H20 N4 O7 |
| Smiles: | COC(c1cc(cc(c1N1CCN(CC1)c1ccccc1OC)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7201 |
| logD: | 3.7201 |
| logSw: | -4.086 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.315 |
| InChI Key: | ZVAHZZCDXQEGKY-UHFFFAOYSA-N |