rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S731-1289 |
| Compound Name: | rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 547.7 |
| Molecular Formula: | C31 H41 N5 O4 |
| Smiles: | COc1cccc(CC(N2CCCCCCNC([C@H]3C[C@@H](C[C@@H]23)C(N2CCN(CC2)c2ccccn2)=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2291 |
| logD: | 3.2203 |
| logSw: | -3.3619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.31 |
| InChI Key: | CEGNUSPXDCEJGS-IEUSDUHPSA-N |