ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate
ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate
Compound characteristics
| Compound ID: | 5701-2507 |
| Compound Name: | ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3182 |
| logD: | 4.126 |
| logSw: | -4.0645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.665 |
| InChI Key: | BIHPEXBRJDRAAX-UHFFFAOYSA-N |