rel-(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0287 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[(4-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C21 H23 Cl N2 O4 S |
| Smiles: | Cc1ccc(CN2CC(N(c3ccc(c(c3)[Cl])OC)[C@@H]3CS(C[C@H]23)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9689 |
| logD: | 1.9689 |
| logSw: | -2.908 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.549 |
| InChI Key: | ZYNWVQNEKTZXMF-OALUTQOASA-N |