rel-(4aR,7aS)-4-butyl-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-butyl-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-butyl-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0297 |
| Compound Name: | rel-(4aR,7aS)-4-butyl-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C19 H28 N2 O3 S |
| Smiles: | CCCCN1CC(N(c2ccc(cc2)C(C)C)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.3237 |
| logD: | 2.3237 |
| logSw: | -2.7456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.169 |
| InChI Key: | JGDPPVYJAKMFLL-ZWKOTPCHSA-N |