rel-(9aR,11R,12aS)-1-(3-methylbenzoyl)-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-methylbenzoyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-(3-methylbenzoyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S731-1292 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(3-methylbenzoyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C30 H39 N5 O3 |
| Smiles: | Cc1cccc(c1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)C(N1CCN(CC1)c1ccccn1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3327 |
| logD: | 3.3238 |
| logSw: | -3.4917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.294 |
| InChI Key: | LBSITHKRETUVSW-CYXNTTPDSA-N |