4-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
4-{[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S788-0157 |
| Compound Name: | 4-{[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)Cc1ccc(C#N)cc1)=O |
| Stereo: | RELATIVE |
| logP: | 1.9418 |
| logD: | 1.5435 |
| logSw: | -2.6103 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.18 |
| InChI Key: | QMOXTIZHMJLCIC-MSOLQXFVSA-N |