ethyl 4-{5-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
ethyl 4-{5-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
Compound characteristics
| Compound ID: | Y207-5564 |
| Compound Name: | ethyl 4-{5-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN(Cc2cccnc2)CNC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7818 |
| logD: | 2.755 |
| logSw: | -2.8471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.204 |
| InChI Key: | FXNSJOWAJAEYRI-UHFFFAOYSA-N |