methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8008-5308 |
| Compound Name: | methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C19 H20 N4 O7 |
| Smiles: | COC(c1cc(c(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1279 |
| logD: | 4.1279 |
| logSw: | -4.3813 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.014 |
| InChI Key: | VPYASOQXUJAKPA-UHFFFAOYSA-N |