methyl 4-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate
methyl 4-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | Y505-5513 |
| Compound Name: | methyl 4-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate |
| Molecular Weight: | 522.99 |
| Molecular Formula: | C28 H27 Cl N2 O6 |
| Smiles: | COC(c1ccc(Cn2c(c3ccc(c(c3)OC)OC)c(c(c3ccc(c(c3)OC)OC)n2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1855 |
| logD: | 5.1855 |
| logSw: | -5.787 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.896 |
| InChI Key: | QHQRXMVNAITJKV-UHFFFAOYSA-N |