ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-5004 |
| Compound Name: | ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)CC1=C(C(c2ccsc2)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1521 |
| logD: | 0.0137 |
| logSw: | -2.6752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.228 |
| InChI Key: | OPLRDBCRAWNQCH-UHFFFAOYSA-N |