2-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
2-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S788-0159 |
| Compound Name: | 2-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 311.43 |
| Molecular Formula: | C19 H25 N3 O |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)Cc1ccccc1C#N)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0863 |
| logD: | 1.893 |
| logSw: | -2.9202 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.18 |
| InChI Key: | BDFNQYSVVOSURG-MSOLQXFVSA-N |