3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate
Compound characteristics
Compound ID: | C100-0084 |
Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate |
Molecular Weight: | 431.47 |
Molecular Formula: | C23 H17 N3 O4 S |
Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1[N+]([O-])=O)=O)Sc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.9217 |
logD: | 4.9217 |
logSw: | -4.8266 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 67.359 |
InChI Key: | SUKSGPQXZZZBHT-UHFFFAOYSA-N |