5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0093 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]furan-2-carboxamide |
| Molecular Weight: | 449.87 |
| Molecular Formula: | C18 H16 Cl N5 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2356 |
| logD: | 4.2201 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.093 |
| InChI Key: | VYCRVXSAOPYATQ-UHFFFAOYSA-N |