rel-(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
Compound ID: | D512-0025 |
Compound Name: | rel-(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
Molecular Weight: | 400.5 |
Molecular Formula: | C21 H24 N2 O4 S |
Smiles: | Cc1cccc(c1)N1C(CN(Cc2ccc(cc2)OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
Stereo: | RELATIVE |
logP: | 1.651 |
logD: | 1.651 |
logSw: | -2.4208 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 54.463 |
InChI Key: | VAGSTCYDJHSHKX-VQTJNVASSA-N |