ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-0790 |
| Compound Name: | ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C26 H35 N3 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)CC1=C(C(c2ccccc2C)NC(N1CC=C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6331 |
| logD: | 1.7422 |
| logSw: | -3.5453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.422 |
| InChI Key: | KWOVLLJNHOTDSJ-UHFFFAOYSA-N |