methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0560 |
| Compound Name: | methyl 6-[(5-chlorothiophene-2-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 472.92 |
| Molecular Formula: | C18 H17 Cl N2 O7 S2 |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc(s1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8245 |
| logD: | 1.4778 |
| logSw: | -2.7265 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.434 |
| InChI Key: | QEOLDKZTXSNBTL-MRXNPFEDSA-N |