5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0097 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide |
| Molecular Weight: | 419.84 |
| Molecular Formula: | C17 H14 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1NC(NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4994 |
| logD: | 3.4987 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.27 |
| InChI Key: | WYGATYDZORZIHK-UHFFFAOYSA-N |