rel-(4aR,7aS)-1-(4-bromophenyl)-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-bromophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0292 |
| Compound Name: | rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(2-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H21 Br N2 O3 S |
| Smiles: | Cc1ccccc1CN1CC(N(c2ccc(cc2)[Br])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.7413 |
| logD: | 2.7413 |
| logSw: | -2.9733 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | OOQVTUMPDCDCEW-OALUTQOASA-N |