2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G605-0937 |
| Compound Name: | 2-{[5-(3,4-dimethoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C21 H20 F N3 O6 S2 |
| Smiles: | COc1ccc(cc1OC)S(C1=CN=C(NC1=O)SCC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1993 |
| logD: | -0.4425 |
| logSw: | -2.5667 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.723 |
| InChI Key: | XPUMKOXQMDFPLH-UHFFFAOYSA-N |