rel-(4aR,7aS)-1-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0188 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | Cc1cccc(CN2CC(N(c3cccc(c3)[Cl])[C@@H]3CS(C[C@H]23)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4563 |
| logD: | 2.4563 |
| logSw: | -3.0871 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | JWFIVEYFDLSOAY-OALUTQOASA-N |