1-(3,5-dimethylphenyl)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3,5-dimethylphenyl)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0052 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 539.37 |
| Molecular Formula: | C25 H22 I N3 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)I)c2C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3785 |
| logD: | 5.3754 |
| logSw: | -5.4388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.056 |
| InChI Key: | ACSVYSJHAAWUQX-UHFFFAOYSA-N |