ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0061 |
| Compound Name: | ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 480.92 |
| Molecular Formula: | C21 H21 Cl N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2656 |
| logD: | 1.8399 |
| logSw: | -3.2561 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.995 |
| InChI Key: | MHKCZDRNRVVCHT-LJQANCHMSA-N |