1-(4-bromophenyl)-5-({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-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-1990 |
| Compound Name: | 1-(4-bromophenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C20 H13 Br N2 O3 S |
| Smiles: | C#CCOc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7303 |
| logD: | 3.3552 |
| logSw: | -4.2261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.646 |
| InChI Key: | VSPGWATWMZHGEA-UHFFFAOYSA-N |