ethyl 4-{5-[(furan-2-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(furan-2-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
ethyl 4-{5-[(furan-2-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate
Compound characteristics
| Compound ID: | 5701-2400 |
| Compound Name: | ethyl 4-{5-[(furan-2-yl)methyl]-2-sulfanylidene-1,3,5-triazinan-1-yl}benzoate |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN(Cc2ccco2)CNC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5024 |
| logD: | 3.4664 |
| logSw: | -3.5785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.435 |
| InChI Key: | OSEWYQDUXXCASX-UHFFFAOYSA-N |