rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-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-[(4-methoxyphenyl)acetyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1131 |
| Compound Name: | rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | COc1ccc(CC(N2[C@H]3CC[C@@H]2Cn2c(C3)c(C(N)=O)nc2c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3163 |
| logD: | 2.3163 |
| logSw: | -2.5785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.416 |
| InChI Key: | YMPRGMVBMBNFBS-RTBURBONSA-N |