2-iodo-6-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
Chemical Structure Depiction of
2-iodo-6-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
2-iodo-6-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
Compound characteristics
| Compound ID: | Y509-0372 |
| Compound Name: | 2-iodo-6-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate |
| Molecular Weight: | 552.37 |
| Molecular Formula: | C26 H21 I N2 O4 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)I)OC(c2ccccc2)=O)OC)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8795 |
| logD: | 5.8794 |
| logSw: | -5.625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.768 |
| InChI Key: | ZNNFOVWWKAUUDS-UHFFFAOYSA-N |