rel-(4aR,7aS)-4-benzyl-1-(4-bromophenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-benzyl-1-(4-bromophenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-benzyl-1-(4-bromophenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1097 |
| Compound Name: | rel-(4aR,7aS)-4-benzyl-1-(4-bromophenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 435.34 |
| Molecular Formula: | C19 H19 Br N2 O3 S |
| Smiles: | C1C(N(c2ccc(cc2)[Br])[C@@H]2CS(C[C@@H]2N1Cc1ccccc1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.989 |
| logD: | 1.989 |
| logSw: | -2.4238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | HJZYXRDLFRQSML-ROUUACIJSA-N |