methyl [(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate
methyl [(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 6623-1078 |
| Compound Name: | methyl [(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | CC(c1c(NC(c2ccccc2)=O)nc(c2ccccc2)nc1SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9574 |
| logD: | 2.3144 |
| logSw: | -4.2939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.806 |
| InChI Key: | ODYMEGDLZILFIV-UHFFFAOYSA-N |