2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C716-0518 |
| Compound Name: | 2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C18 H13 Cl F N3 O4 S2 |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)SC1NC(C(=CN=1)S(c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5062 |
| logD: | 0.8644 |
| logSw: | -3.3989 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | IOUWKXNIWHMESP-UHFFFAOYSA-N |