methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate
methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3703 |
| Compound Name: | methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C18 H17 N3 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCN(CC1)C(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3606 |
| logSw: | -1.8694 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.477 |
| InChI Key: | HDZCDFOYTXGLHS-UHFFFAOYSA-N |