{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile
Chemical Structure Depiction of
{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile
{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile
Compound characteristics
| Compound ID: | 1542-0047 |
| Compound Name: | {2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile |
| Molecular Weight: | 287.29 |
| Molecular Formula: | C13 H9 N3 O3 S |
| Smiles: | C(C#N)Oc1ccccc1C=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5601 |
| logD: | 1.2985 |
| logSw: | -2.2967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.622 |
| InChI Key: | PLYIXIZKYJMWIH-UHFFFAOYSA-N |