rel-(4aR,7aS)-4-(butan-2-yl)-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-(butan-2-yl)-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-(butan-2-yl)-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
Compound ID: | D512-0047 |
Compound Name: | rel-(4aR,7aS)-4-(butan-2-yl)-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
Molecular Weight: | 336.45 |
Molecular Formula: | C17 H24 N2 O3 S |
Smiles: | CCC(C)N1CC(N(c2ccc(C)cc2)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.621 |
logD: | 1.621 |
logSw: | -2.3572 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.661 |
InChI Key: | HGUCIDSNGJIFPH-PXWJKWRZSA-N |