ethyl 1-ethyl-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-0729 |
| Compound Name: | ethyl 1-ethyl-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C23 H35 N5 O4 S |
| Smiles: | CCCNC(N1CCN(CC1C)CC1=C(C(c2ccsc2)NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.887 |
| logD: | 0.8464 |
| logSw: | -3.2015 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.43 |
| InChI Key: | SZJQNHMAEGJJES-UHFFFAOYSA-N |