N-(2,6-dimethoxypyrimidin-4-yl)-4-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2,6-dimethoxypyrimidin-4-yl)-4-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzene-1-sulfonamide
N-(2,6-dimethoxypyrimidin-4-yl)-4-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y500-0978 |
| Compound Name: | N-(2,6-dimethoxypyrimidin-4-yl)-4-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzene-1-sulfonamide |
| Molecular Weight: | 597.86 |
| Molecular Formula: | C23 H19 Cl3 N6 O5 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)S(Nc2cc(nc(n2)OC)OC)(=O)=O)C(N(c2c(cc(cc2[Cl])[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0295 |
| logD: | 1.9019 |
| logSw: | -5.3105 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.163 |
| InChI Key: | SWPXRRXYZBCPJH-UHFFFAOYSA-N |