3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8018-2204 |
| Compound Name: | 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 214.24 |
| Molecular Formula: | C8 H10 N2 O3 S |
| Smiles: | CC1=CC(NC(=N1)SCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0436 |
| logD: | -2.7392 |
| logSw: | -1.9937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.955 |
| InChI Key: | OHXCUDNQSRMZCI-UHFFFAOYSA-N |