3-(3-chlorophenyl)-6-hydroxy-5-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-6-hydroxy-5-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}pyrimidine-2,4(1H,3H)-dione
3-(3-chlorophenyl)-6-hydroxy-5-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y508-2016 |
| Compound Name: | 3-(3-chlorophenyl)-6-hydroxy-5-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C22 H17 Cl N4 O4 |
| Smiles: | CC1/C(=C/C2=C(NC(N(C2=O)c2cccc(c2)[Cl])=O)O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8828 |
| logD: | -3.3188 |
| logSw: | -3.4004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.388 |
| InChI Key: | XLOIOOQMHWXDSJ-UHFFFAOYSA-N |