methyl 6-[(3-chloro-4-methoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3-chloro-4-methoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(3-chloro-4-methoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0521 |
| Compound Name: | methyl 6-[(3-chloro-4-methoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C20 H19 Cl N2 O7 S |
| Smiles: | COC(C1C(c2ccc(cc2)O)NC(NC=1CS(c1ccc(c(c1)[Cl])OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4791 |
| logD: | 1.0534 |
| logSw: | -2.6102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.485 |
| InChI Key: | FOTIUZWFZHIYKD-GOSISDBHSA-N |