N-(2,6-dimethoxypyrimidin-4-yl)-4-{[3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2,6-dimethoxypyrimidin-4-yl)-4-{[3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
N-(2,6-dimethoxypyrimidin-4-yl)-4-{[3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3300-0111 |
| Compound Name: | N-(2,6-dimethoxypyrimidin-4-yl)-4-{[3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CCc1ccc(cc1)C(\C=C/Nc1ccc(cc1)S(Nc1cc(nc(n1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7508 |
| logD: | 0.6232 |
| logSw: | -4.0789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.047 |
| InChI Key: | LYFJWHOFXUKKHX-UHFFFAOYSA-N |