3,3-dimethylbutan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3,3-dimethylbutan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3,3-dimethylbutan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-2806 |
| Compound Name: | 3,3-dimethylbutan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C19 H25 Cl N2 O5 |
| Smiles: | CC(C(C)(C)C)OC(C1C(c2cc(c(c(c2)[Cl])O)OC)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6778 |
| logD: | 3.5276 |
| logSw: | -3.6113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.22 |
| InChI Key: | NQCWSTXSEFWPAN-UHFFFAOYSA-N |