rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0212 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C21 H23 Cl N2 O3 S |
| Smiles: | CC(c1ccccc1)N1CC(N(c2ccc(C)c(c2)[Cl])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1995 |
| logD: | 3.1995 |
| logSw: | -3.3943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.425 |
| InChI Key: | IJAVEKWBJMDBBP-FIRGRZAASA-N |