3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0161 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 521.55 |
| Molecular Formula: | C26 H23 N3 O7 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cc(c(c(c1)OC)OC)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4818 |
| logD: | 4.4818 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.337 |
| InChI Key: | NYCQWWRGRPOXEQ-UHFFFAOYSA-N |