2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-4576 |
| Compound Name: | 2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 524.41 |
| Molecular Formula: | C20 H18 Br N3 O5 S2 |
| Smiles: | COc1ccc(CNC(CSC2NC(C(=CN=2)S(c2ccc(cc2)[Br])(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5161 |
| logD: | 0.8743 |
| logSw: | -2.8688 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.006 |
| InChI Key: | TXOXXECOMBAZKB-UHFFFAOYSA-N |