rel-(6R,9S)-3-phenyl-11-(thiophene-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)-3-phenyl-11-(thiophene-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-3-phenyl-11-(thiophene-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1136 |
| Compound Name: | rel-(6R,9S)-3-phenyl-11-(thiophene-2-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1cccs1)=O)c(C(N)=O)nc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.168 |
| logD: | 2.168 |
| logSw: | -2.5062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.418 |
| InChI Key: | FDTCLEJLHLBWTP-CABCVRRESA-N |