rel-(4aR,7aS)-1-(3-methylphenyl)-4-(2-methylpropyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3-methylphenyl)-4-(2-methylpropyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-methylphenyl)-4-(2-methylpropyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0009 |
| Compound Name: | rel-(4aR,7aS)-1-(3-methylphenyl)-4-(2-methylpropyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 336.45 |
| Molecular Formula: | C17 H24 N2 O3 S |
| Smiles: | CC(C)CN1CC(N(c2cccc(C)c2)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4547 |
| logD: | 1.4547 |
| logSw: | -2.3162 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.19 |
| InChI Key: | KVJUCDQDAOOWGQ-JKSUJKDBSA-N |