1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
					Chemical Structure Depiction of
1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
			1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 3335-0253 | 
| Compound Name: | 1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one | 
| Molecular Weight: | 417.87 | 
| Molecular Formula: | C19 H16 Cl N3 O4 S | 
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2[N+]([O-])=O)=O)n1)Sc1ccc(cc1)[Cl] | 
| Stereo: | ACHIRAL | 
| logP: | 3.6994 | 
| logD: | 3.6994 | 
| logSw: | -4.2469 | 
| Hydrogen bond acceptors count: | 9 | 
| Polar surface area: | 67.72 | 
| InChI Key: | NHLLXSHOYVOELI-UHFFFAOYSA-N | 
 
				 
				