methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0373 |
| Compound Name: | methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 498.91 |
| Molecular Formula: | C21 H20 Cl F N2 O7 S |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)OC)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0796 |
| logD: | 1.6539 |
| logSw: | -3.0945 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.498 |
| InChI Key: | BPXXUNJHEOVPMB-LJQANCHMSA-N |