3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate
Compound characteristics
Compound ID: | C100-0176 |
Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3-nitrobenzoate |
Molecular Weight: | 476.47 |
Molecular Formula: | C23 H16 N4 O6 S |
Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccc(c1)[N+]([O-])=O)=O)Sc1ccccc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.8761 |
logD: | 4.8761 |
logSw: | -4.7747 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 100.741 |
InChI Key: | CFCHHGLUTFEKDX-UHFFFAOYSA-N |