1-[4-(adamantan-1-yl)phenyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)phenyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
1-[4-(adamantan-1-yl)phenyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | Y500-5788 |
| Compound Name: | 1-[4-(adamantan-1-yl)phenyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 612.46 |
| Molecular Formula: | C29 H29 I N2 O5 |
| Smiles: | COc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)C23CC4CC(CC(C4)C3)C2)=O)=O)cc(c1OC)I |
| Stereo: | ACHIRAL |
| logP: | 6.3967 |
| logD: | 6.0937 |
| logSw: | -5.7071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.5 |
| InChI Key: | QASWHYOBZDVTRP-UHFFFAOYSA-N |