rel-(8aR,11aS)-1-(quinoline-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(quinoline-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-(quinoline-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0037 |
| Compound Name: | rel-(8aR,11aS)-1-(quinoline-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)C(c1ccc2ccccc2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4026 |
| logD: | 2.4026 |
| logSw: | -3.046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.205 |
| InChI Key: | CEFMVJKCNXRAEN-APWZRJJASA-N |