propan-2-yl 1-ethyl-4-({5-[(4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-4-({5-[(4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-1H-pyrazole-3-carboxylate
propan-2-yl 1-ethyl-4-({5-[(4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-7507 |
| Compound Name: | propan-2-yl 1-ethyl-4-({5-[(4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C21 H22 N4 O7 |
| Smiles: | CCn1cc(c(C(=O)OC(C)C)n1)NC(c1ccc(COc2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2651 |
| logD: | 1.3661 |
| logSw: | -3.5066 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.563 |
| InChI Key: | ZRBQNBYCGFSSCI-UHFFFAOYSA-N |