3-{2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
3-{2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | D058-0124 |
| Compound Name: | 3-{2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCC(Nc1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2504 |
| logD: | 0.3646 |
| logSw: | -3.496 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.438 |
| InChI Key: | XNDDBAUJWSTSLS-UHFFFAOYSA-N |