2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-4562 |
| Compound Name: | 2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 524.41 |
| Molecular Formula: | C20 H18 Br N3 O5 S2 |
| Smiles: | COc1cccc(CNC(CSC2NC(C(=CN=2)S(c2ccc(cc2)[Br])(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.631 |
| logD: | 0.9893 |
| logSw: | -3.1617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.006 |
| InChI Key: | MVZBVRLRNMPWSA-UHFFFAOYSA-N |