rel-(8aR,11aS)-1-(4-phenylbutanoyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(4-phenylbutanoyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-(4-phenylbutanoyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0036 |
| Compound Name: | rel-(8aR,11aS)-1-(4-phenylbutanoyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9865 |
| logD: | 2.9865 |
| logSw: | -3.2875 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.347 |
| InChI Key: | SZFPXZNBCGWFHS-MOPGFXCFSA-N |