rel-(4aR,7aS)-4-[(4-methylphenyl)methyl]-1-phenylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(4-methylphenyl)methyl]-1-phenylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(4-methylphenyl)methyl]-1-phenylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0004 |
| Compound Name: | rel-(4aR,7aS)-4-[(4-methylphenyl)methyl]-1-phenylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | Cc1ccc(CN2CC(N(c3ccccc3)[C@@H]3CS(C[C@H]23)(=O)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 1.4569 |
| logD: | 1.4569 |
| logSw: | -2.2337 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | KEMOVWWEJYTSRQ-RBUKOAKNSA-N |