rel-(4aR,7aS)-4-[(2-methylphenyl)methyl]-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
					Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(2-methylphenyl)methyl]-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
			rel-(4aR,7aS)-4-[(2-methylphenyl)methyl]-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0299 | 
| Compound Name: | rel-(4aR,7aS)-4-[(2-methylphenyl)methyl]-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione | 
| Molecular Weight: | 412.55 | 
| Molecular Formula: | C23 H28 N2 O3 S | 
| Smiles: | CC(C)c1ccc(cc1)N1C(CN(Cc2ccccc2C)[C@H]2CS(C[C@@H]12)(=O)=O)=O | 
| Stereo: | RACEMIC MIXTURE (RELATIVE) | 
| logP: | 3.2456 | 
| logD: | 3.2456 | 
| logSw: | -3.2897 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 46.919 | 
| InChI Key: | HQEAZCXRHKYRFH-FCHUYYIVSA-N | 
 
				 
				