methyl 4-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}benzoate
methyl 4-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | Y505-6780 |
| Compound Name: | methyl 4-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}benzoate |
| Molecular Weight: | 503.44 |
| Molecular Formula: | C28 H27 Br N2 O2 |
| Smiles: | Cc1ccc(cc1C)c1c(c(c2ccc(C)c(C)c2)n(Cc2ccc(cc2)C(=O)OC)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.9581 |
| logD: | 7.9581 |
| logSw: | -5.6401 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.374 |
| InChI Key: | HVAGRBMFRQSQQV-UHFFFAOYSA-N |