methyl 3-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate
methyl 3-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | Y505-6599 |
| Compound Name: | methyl 3-{[3,5-bis(4-bromophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate |
| Molecular Weight: | 540.25 |
| Molecular Formula: | C25 H20 Br2 N2 O2 |
| Smiles: | Cc1c(c2ccc(cc2)[Br])nn(Cc2cccc(c2)C(=O)OC)c1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.0523 |
| logD: | 7.0523 |
| logSw: | -5.7275 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.374 |
| InChI Key: | XNZGUFGEUSNUSD-UHFFFAOYSA-N |