ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
					Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
			ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V031-2271 | 
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate | 
| Molecular Weight: | 539.6 | 
| Molecular Formula: | C26 H36 F3 N5 O4 | 
| Smiles: | CCN1C(CN2CCN(CC2)C(NC(C)(C)C)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 3.6978 | 
| logD: | 1.6326 | 
| logSw: | -3.7509 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 78.176 | 
| InChI Key: | WAIXTLUKUQPGFU-NRFANRHFSA-N | 
 
				 
				