rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0108 |
| Compound Name: | rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | Cc1cccc(CN2CC(N(c3cc(C)cc(C)c3)[C@@H]3CS(C[C@H]23)(=O)=O)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 2.8764 |
| logD: | 2.8764 |
| logSw: | -3.198 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | YRTYJCNVTCQGAG-LEWJYISDSA-N |