rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1253 |
| Compound Name: | rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C24 H30 N2 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(CN(Cc2ccc(cc2)OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9319 |
| logD: | 2.9319 |
| logSw: | -3.2803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.463 |
| InChI Key: | IYIOSDJLZGFPOS-FCHUYYIVSA-N |