1-(4-bromophenyl)-5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-2295 |
| Compound Name: | 1-(4-bromophenyl)-5-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 485.35 |
| Molecular Formula: | C22 H17 Br N2 O4 S |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)ccc1OCC#C |
| Stereo: | ACHIRAL |
| logP: | 3.6011 |
| logD: | 3.226 |
| logSw: | -3.8784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.943 |
| InChI Key: | CXAIFROOBQHIGX-UHFFFAOYSA-N |