3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxybenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxybenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxybenzoate
Compound characteristics
Compound ID: | C100-0143 |
Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxybenzoate |
Molecular Weight: | 461.5 |
Molecular Formula: | C24 H19 N3 O5 S |
Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1OC)=O)Sc1ccccc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 5.1106 |
logD: | 5.1106 |
logSw: | -5.1477 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 74.99 |
InChI Key: | MVLWONPJWJKHBN-UHFFFAOYSA-N |