ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-2415 |
| Compound Name: | ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)CC1=C(C(c2ccsc2)NC(N1CC=C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9885 |
| logD: | -0.2369 |
| logSw: | -3.1361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.507 |
| InChI Key: | GJYOXHAPFGJEES-FQEVSTJZSA-N |