3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 4-methoxybenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C100-0145 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C24 H19 N3 O5 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(cc1)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0328 |
| logD: | 5.0328 |
| logSw: | -4.7769 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.903 |
| InChI Key: | JFULQEVMEPUMIQ-UHFFFAOYSA-N |