5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-6665 |
| Compound Name: | 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide |
| Molecular Weight: | 404.81 |
| Molecular Formula: | C18 H17 Cl N4 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(Nc3ccc(cc3[N+]([O-])=O)OC)=O)o2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.741 |
| logD: | 3.5523 |
| logSw: | -4.5536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.379 |
| InChI Key: | BLCBOQLHSIOLAD-UHFFFAOYSA-N |