rel-(4aR,7aS)-1-(4-bromophenyl)-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-bromophenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1108 |
| Compound Name: | rel-(4aR,7aS)-1-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 465.36 |
| Molecular Formula: | C20 H21 Br N2 O4 S |
| Smiles: | COc1ccc(CN2CC(N(c3ccc(cc3)[Br])[C@@H]3CS(C[C@H]23)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9714 |
| logD: | 1.9714 |
| logSw: | -2.5868 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.463 |
| InChI Key: | NLVCQZRITMSFEJ-OALUTQOASA-N |