rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(3-methylbutyl)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-(3-methylbutyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(3-methylbutyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0236 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(3-methylbutyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 384.92 |
| Molecular Formula: | C18 H25 Cl N2 O3 S |
| Smiles: | CC(C)CCN1CC(N(c2ccc(C)c(c2)[Cl])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6027 |
| logD: | 2.6027 |
| logSw: | -3.1335 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.169 |
| InChI Key: | XVLXAGPOSBRMGG-IRXDYDNUSA-N |