rel-(6R,9S)-N-methyl-3-phenyl-11-(pyrazine-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-methyl-3-phenyl-11-(pyrazine-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N-methyl-3-phenyl-11-(pyrazine-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1203 |
| Compound Name: | rel-(6R,9S)-N-methyl-3-phenyl-11-(pyrazine-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | CNC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(c1cnccn1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.6129 |
| logD: | 0.6129 |
| logSw: | -1.2058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.742 |
| InChI Key: | FIZWQEPUIABJOG-CVEARBPZSA-N |