ethyl 4-(5-benzyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-benzyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
ethyl 4-(5-benzyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Compound characteristics
| Compound ID: | 5701-2365 |
| Compound Name: | ethyl 4-(5-benzyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C19 H21 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN(Cc2ccccc2)CNC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.095 |
| logD: | 3.9881 |
| logSw: | -4.0438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.686 |
| InChI Key: | JJHCLCCEAMNDJE-UHFFFAOYSA-N |