methyl 2-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}benzoate
methyl 2-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y205-2326 |
| Compound Name: | methyl 2-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C19 H20 N4 O5 |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2654 |
| logD: | 3.2645 |
| logSw: | -3.704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.825 |
| InChI Key: | HOWDPOYYNLWYNU-UHFFFAOYSA-N |