1-(3-bromophenyl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-bromophenyl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3703-0111 |
| Compound Name: | 1-(3-bromophenyl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C22 H19 Br N2 O4 S |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.794 |
| logD: | 3.6823 |
| logSw: | -4.4125 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.918 |
| InChI Key: | GDTPHYPUTWZVAR-UHFFFAOYSA-N |