ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5-ethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5-ethylthiophene-3-carboxylate
ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5-ethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0388 |
| Compound Name: | ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5-ethylthiophene-3-carboxylate |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C14 H15 N3 O4 S2 |
| Smiles: | CCc1cc(C(=O)OCC)c(/N=C/C2C(NC(NC2=O)=S)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5866 |
| logD: | -1.9513 |
| logSw: | -2.5612 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.573 |
| InChI Key: | YYGVRMSAFPIROO-UHFFFAOYSA-N |