methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0512 |
| Compound Name: | methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 442.89 |
| Molecular Formula: | C17 H15 Cl N2 O6 S2 |
| Smiles: | COC(C1C(c2ccc(cc2)O)NC(NC=1CS(c1ccc(s1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8604 |
| logD: | 1.5137 |
| logSw: | -2.5732 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.872 |
| InChI Key: | VMKUDJZUZGRRFO-OAHLLOKOSA-N |