2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | C200-5329 |
| Compound Name: | 2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 508.01 |
| Molecular Formula: | C22 H22 Cl N3 O5 S2 |
| Smiles: | COc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(NCCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5916 |
| logD: | 0.9499 |
| logSw: | -3.4705 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.934 |
| InChI Key: | PPVODAUIKUJXBH-UHFFFAOYSA-N |