rel-(4aR,7aS)-1-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
Compound ID: | D512-0195 |
Compound Name: | rel-(4aR,7aS)-1-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
Molecular Weight: | 404.91 |
Molecular Formula: | C20 H21 Cl N2 O3 S |
Smiles: | Cc1ccccc1CN1CC(N(c2ccc(cc2)[Cl])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
Stereo: | RELATIVE |
logP: | 2.5021 |
logD: | 2.5021 |
logSw: | -2.8798 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.919 |
InChI Key: | JZBHNHYYJDJJKA-OALUTQOASA-N |