{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid
{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8009-6815 |
| Compound Name: | {[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C16 H18 N2 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2)N=C(NC=1C)SCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2858 |
| logD: | -0.2949 |
| logSw: | -2.612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.48 |
| InChI Key: | PIXSYPRIZYBGET-AWEZNQCLSA-N |