methyl 5-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}furan-2-carboxylate
methyl 5-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y505-6823 |
| Compound Name: | methyl 5-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 493.4 |
| Molecular Formula: | C26 H25 Br N2 O3 |
| Smiles: | Cc1ccc(cc1C)c1c(c(c2ccc(C)c(C)c2)n(Cc2ccc(C(=O)OC)o2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.2635 |
| logD: | 7.2635 |
| logSw: | -5.6025 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.215 |
| InChI Key: | ORRZZPMMYCYLOG-UHFFFAOYSA-N |