rel-(6R,9S)-N-methyl-11-(1-methyl-1H-imidazole-4-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)-N-methyl-11-(1-methyl-1H-imidazole-4-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N-methyl-11-(1-methyl-1H-imidazole-4-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1260 |
| Compound Name: | rel-(6R,9S)-N-methyl-11-(1-methyl-1H-imidazole-4-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | CNC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(c1cn(C)cn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6241 |
| logD: | 0.624 |
| logSw: | -1.7514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.812 |
| InChI Key: | NMKAGDOOGDOYIR-CVEARBPZSA-N |