methyl 4-{[3,5-bis(3,4-dichlorophenyl)-1H-pyrazol-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3,5-bis(3,4-dichlorophenyl)-1H-pyrazol-1-yl]methyl}benzoate
methyl 4-{[3,5-bis(3,4-dichlorophenyl)-1H-pyrazol-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | Y505-6720 |
| Compound Name: | methyl 4-{[3,5-bis(3,4-dichlorophenyl)-1H-pyrazol-1-yl]methyl}benzoate |
| Molecular Weight: | 506.21 |
| Molecular Formula: | C24 H16 Cl4 N2 O2 |
| Smiles: | COC(c1ccc(Cn2c(cc(c3ccc(c(c3)[Cl])[Cl])n2)c2ccc(c(c2)[Cl])[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2519 |
| logD: | 8.2519 |
| logSw: | -6.6789 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.827 |
| InChI Key: | XDDFJBDGMQGNJJ-UHFFFAOYSA-N |