ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate
Chemical Structure Depiction of
ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate
ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate
Compound characteristics
| Compound ID: | 8008-9849 |
| Compound Name: | ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | CCOC(C(C1CC(C)NC(N1)=S)C(c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1592 |
| logD: | 2.1592 |
| logSw: | -2.5319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.681 |
| InChI Key: | MYOAFEBHIMLHPU-UHFFFAOYSA-N |