5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3669-2497 |
| Compound Name: | 5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C22 H17 F N2 O4 S |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccccc2F)=S)=O)ccc1OCC#C |
| Stereo: | ACHIRAL |
| logP: | 2.8177 |
| logD: | 1.7437 |
| logSw: | -3.41 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.642 |
| InChI Key: | NJENYOLMWBMKGT-UHFFFAOYSA-N |