rel-(6R,9S)-N-methyl-3-phenyl-11-(propane-1-sulfonyl)-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-(propane-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N-methyl-3-phenyl-11-(propane-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1215 |
| Compound Name: | rel-(6R,9S)-N-methyl-3-phenyl-11-(propane-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCCS(N1[C@H]2CC[C@@H]1Cn1c(C2)c(C(NC)=O)nc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.518 |
| logD: | 1.518 |
| logSw: | -2.3712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.958 |
| InChI Key: | FBSBTHOSLMPVRS-CVEARBPZSA-N |