methyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4607 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 491.33 |
| Molecular Formula: | C21 H22 I N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CNc2ccc(cc2)I)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8372 |
| logD: | 4.5851 |
| logSw: | -4.5904 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.707 |
| InChI Key: | MOSWWJGTVHGBKG-LJQANCHMSA-N |