rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-[2-(cyclohex-1-en-1-yl)ethyl]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-[2-(cyclohex-1-en-1-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-[2-(cyclohex-1-en-1-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0206 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-[2-(cyclohex-1-en-1-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 422.97 |
| Molecular Formula: | C21 H27 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(CN(CCC2CCCCC=2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.986 |
| logD: | 2.986 |
| logSw: | -3.4185 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.09 |
| InChI Key: | XOOHJWWKFBOMBQ-PMACEKPBSA-N |