rel-(6R,9S)-N,N-dimethyl-11-(1-methyl-1H-pyrrole-2-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,N-dimethyl-11-(1-methyl-1H-pyrrole-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N,N-dimethyl-11-(1-methyl-1H-pyrrole-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1324 |
| Compound Name: | rel-(6R,9S)-N,N-dimethyl-11-(1-methyl-1H-pyrrole-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | CN(C)C(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(c1cccn1C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.0503 |
| logD: | 2.0503 |
| logSw: | -2.3298 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.758 |
| InChI Key: | ZVVUZVYYKNPLHT-MSOLQXFVSA-N |