methyl 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0566 |
| Compound Name: | methyl 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C24 H26 N2 O7 S |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc2CCCCc2c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.508 |
| logD: | 2.0822 |
| logSw: | -2.8392 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.336 |
| InChI Key: | YLDCLXFMCLXYHA-JOCHJYFZSA-N |