rel-(9aR,12aS)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0366 |
| Compound Name: | rel-(9aR,12aS)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | CN1CCCCCCN(C(C2(CC2)c2ccc(cc2)OC)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9235 |
| logD: | 2.9235 |
| logSw: | -3.0891 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.002 |
| InChI Key: | TXJFXOBTVHYAOS-RTWAWAEBSA-N |