methyl 6-[(4-bromobenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-bromobenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(4-bromobenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0290 |
| Compound Name: | methyl 6-[(4-bromobenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 465.32 |
| Molecular Formula: | C19 H17 Br N2 O5 S |
| Smiles: | COC(C1C(c2ccccc2)NC(NC=1CS(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7241 |
| logD: | 2.2984 |
| logSw: | -3.273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | NFAPCOLYQRNMHO-QGZVFWFLSA-N |