ethyl 5-[(5-nitrofuran-2-carbonyl)amino]-1-{2-[(5-nitrofuran-2-carbonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-nitrofuran-2-carbonyl)amino]-1-{2-[(5-nitrofuran-2-carbonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
ethyl 5-[(5-nitrofuran-2-carbonyl)amino]-1-{2-[(5-nitrofuran-2-carbonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | C691-0030 |
| Compound Name: | ethyl 5-[(5-nitrofuran-2-carbonyl)amino]-1-{2-[(5-nitrofuran-2-carbonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 477.34 |
| Molecular Formula: | C18 H15 N5 O11 |
| Smiles: | CCOC(c1cnn(CCOC(c2ccc([N+]([O-])=O)o2)=O)c1NC(c1ccc([N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9068 |
| logD: | 0.303 |
| logSw: | -2.6001 |
| Hydrogen bond acceptors count: | 19 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.031 |
| InChI Key: | VKTAUJJMSONGRF-UHFFFAOYSA-N |