methyl 4-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-ethoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0470 |
| Compound Name: | methyl 4-(4-ethoxyphenyl)-2-oxo-6-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(CS(c2ccc3CCCCc3c2)(=O)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5325 |
| logD: | 3.1068 |
| logSw: | -3.7042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.281 |
| InChI Key: | DZSURVYDXGQVSY-HSZRJFAPSA-N |