rel-(9aR,12aS)-1-benzyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0185 |
| Compound Name: | rel-(9aR,12aS)-1-benzyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 300.44 |
| Molecular Formula: | C19 H28 N2 O |
| Smiles: | C1CCCN(Cc2ccccc2)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7833 |
| logD: | 1.9281 |
| logSw: | -3.0874 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.124 |
| InChI Key: | OKPZGFFGHZIRKV-MSOLQXFVSA-N |