1-(2H-1,3-benzodioxol-5-yl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3699-1495 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-{[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 436.42 |
| Molecular Formula: | C23 H20 N2 O7 |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 3.5286 |
| logD: | 3.3521 |
| logSw: | -3.5357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.196 |
| InChI Key: | DBIRETKICZWEQF-UHFFFAOYSA-N |