methyl 4-(4-hydroxyphenyl)-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-hydroxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-hydroxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0518 |
| Compound Name: | methyl 4-(4-hydroxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | COC(C1C(c2ccc(cc2)O)NC(NC=1CS(c1ccc2CCCCc2c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5438 |
| logD: | 2.1181 |
| logSw: | -2.8365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.775 |
| InChI Key: | GNJRVBFRXLXTGP-OAQYLSRUSA-N |