2-{[5-(3,5-dichlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3,5-dichlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{[5-(3,5-dichlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G605-0592 |
| Compound Name: | 2-{[5-(3,5-dichlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 514.4 |
| Molecular Formula: | C20 H17 Cl2 N3 O5 S2 |
| Smiles: | COc1ccc(CNC(CSC2NC(C(=CN=2)S(c2cc(cc(c2)[Cl])[Cl])(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7435 |
| logD: | 1.1018 |
| logSw: | -3.7439 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.006 |
| InChI Key: | RINCKACJJQDKGT-UHFFFAOYSA-N |