3-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
3-[rel-(8aR,11aS)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S788-0033 |
| Compound Name: | 3-[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(c1cccc(C#N)c1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4265 |
| logD: | 1.4265 |
| logSw: | -2.1012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.93 |
| InChI Key: | NQYRUPRQVREIOA-SJORKVTESA-N |