rel-(9aR,12aS)-8-methyl-1-(4-phenylbutanoyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-(4-phenylbutanoyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-(4-phenylbutanoyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0320 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-(4-phenylbutanoyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 370.53 |
| Molecular Formula: | C23 H34 N2 O2 |
| Smiles: | CN1CCCCCCN(C(CCCc2ccccc2)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6456 |
| logD: | 3.6456 |
| logSw: | -3.8997 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.68 |
| InChI Key: | RBKMWNOWTHYFOG-RTWAWAEBSA-N |