3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
					Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
			3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
Compound characteristics
| Compound ID: | C100-0130 | 
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate | 
| Molecular Weight: | 431.47 | 
| Molecular Formula: | C23 H17 N3 O4 S | 
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1)=O)Sc1ccccc1[N+]([O-])=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.9454 | 
| logD: | 4.9454 | 
| logSw: | -4.8098 | 
| Hydrogen bond acceptors count: | 9 | 
| Polar surface area: | 67.359 | 
| InChI Key: | PYFUDLRJNMWNML-UHFFFAOYSA-N | 
 
				 
				