methyl 6-[(5-bromothiophene-2-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(5-bromothiophene-2-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(5-bromothiophene-2-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C200-5126 |
| Compound Name: | methyl 6-[(5-bromothiophene-2-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 531.4 |
| Molecular Formula: | C19 H19 Br N2 O7 S2 |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)OC)NC(NC=1CS(c1ccc(s1)[Br])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3883 |
| logD: | 2.0416 |
| logSw: | -2.9647 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.516 |
| InChI Key: | RRKOZKVQPXEBRS-QGZVFWFLSA-N |