5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y508-9701 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)furan-2-carboxamide |
| Molecular Weight: | 360.75 |
| Molecular Formula: | C16 H13 Cl N4 O4 |
| Smiles: | Cc1cc(ccc1NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2541 |
| logD: | 3.2314 |
| logSw: | -3.5268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.36 |
| InChI Key: | KYMJNNDTMPCFEO-UHFFFAOYSA-N |