rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(furan-2-yl)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-[(furan-2-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(furan-2-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1173 |
| Compound Name: | rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(furan-2-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 425.3 |
| Molecular Formula: | C17 H17 Br N2 O4 S |
| Smiles: | C1C(N(c2ccc(cc2)[Br])[C@@H]2CS(C[C@@H]2N1Cc1ccco1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3761 |
| logD: | 1.3761 |
| logSw: | -2.1383 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.668 |
| InChI Key: | DJTKWKQPOGSIMV-HOTGVXAUSA-N |