rel-(4aR,7aS)-4-[(4-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-[(4-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-[(4-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: | D512-0301 |
Compound Name: | rel-(4aR,7aS)-4-[(4-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(Cc2ccc(C)cc2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.9167 |
logD: | 2.9167 |
logSw: | -3.2229 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.919 |
InChI Key: | PHTVXGNNXDIWKG-FCHUYYIVSA-N |