3-(6-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid
Chemical Structure Depiction of
3-(6-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid
3-(6-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid
Compound characteristics
| Compound ID: | 8013-3117 |
| Compound Name: | 3-(6-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid |
| Molecular Weight: | 214.24 |
| Molecular Formula: | C8 H10 N2 O3 S |
| Smiles: | CC1=C(CCC(O)=O)C(NC(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3399 |
| logD: | -2.1563 |
| logSw: | -1.6954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.139 |
| InChI Key: | XXPAJXVOQAZZJC-UHFFFAOYSA-N |