methyl 6-[(2,4-dimethylbenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(2,4-dimethylbenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(2,4-dimethylbenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0567 |
| Compound Name: | methyl 6-[(2,4-dimethylbenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C22 H24 N2 O7 S |
| Smiles: | Cc1ccc(c(C)c1)S(CC1=C(C(c2ccc(c(c2)OC)O)NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3624 |
| logD: | 1.9367 |
| logSw: | -2.6397 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.416 |
| InChI Key: | LXRDEOOKFIAEKQ-HXUWFJFHSA-N |