rel-(6R,9S)-11-(5-methyl-1,2-oxazole-3-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-11-(5-methyl-1,2-oxazole-3-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-(5-methyl-1,2-oxazole-3-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1140 |
| Compound Name: | rel-(6R,9S)-11-(5-methyl-1,2-oxazole-3-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1cc(C(N2[C@H]3CC[C@@H]2Cn2c(C3)c(C(N)=O)nc2c2ccccc2)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5997 |
| logD: | 1.5997 |
| logSw: | -2.0679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.628 |
| InChI Key: | RHGBLWWXYJLPSR-CABCVRRESA-N |