rel-(6R,9S)-N-methyl-3-phenyl-11-[(thiophen-2-yl)acetyl]-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-[(thiophen-2-yl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N-methyl-3-phenyl-11-[(thiophen-2-yl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1198 |
| Compound Name: | rel-(6R,9S)-N-methyl-3-phenyl-11-[(thiophen-2-yl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CNC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0256 |
| logD: | 2.0256 |
| logSw: | -2.4968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.667 |
| InChI Key: | SBMYSRVUMWALLC-SJORKVTESA-N |