4-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
4-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S788-0025 |
| Compound Name: | 4-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C19 H23 N3 O2 |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)C(c1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5438 |
| logD: | 1.5438 |
| logSw: | -2.1212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.93 |
| InChI Key: | FQZKGPFLXIGJRY-SJORKVTESA-N |