rel-(9aR,11R,12aS)-1-[(2,3-dimethoxyphenyl)methyl]-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-[(2,3-dimethoxyphenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-[(2,3-dimethoxyphenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S731-1417 |
| Compound Name: | rel-(9aR,11R,12aS)-1-[(2,3-dimethoxyphenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 549.71 |
| Molecular Formula: | C31 H43 N5 O4 |
| Smiles: | COc1cccc(CN2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)C(N2CCN(CC2)c2ccccn2)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.449 |
| logD: | 0.5041 |
| logSw: | -3.4022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.892 |
| InChI Key: | FWDSHKSLXGKPTI-CYXNTTPDSA-N |