2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 5742-0573 |
| Compound Name: | 2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C21 H22 N6 O4 S2 |
| Smiles: | CC1=C(CC=C)C(NC(=N1)SCC(Nc1ccc(cc1)S(Nc1nccc(C)n1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5239 |
| logD: | 0.9122 |
| logSw: | -2.734 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.895 |
| InChI Key: | DKTOJHBUEYXBNS-UHFFFAOYSA-N |