4-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9753 |
| Compound Name: | 4-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C15 H16 Cl N5 O4 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(NC(c1c(c(C)nn1C)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3691 |
| logD: | 3.3156 |
| logSw: | -4.1523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.615 |
| InChI Key: | LPRQOGCKVPAJAY-UHFFFAOYSA-N |