rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-(quinoline-8-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-(quinoline-8-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-(quinoline-8-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S731-1515 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-(quinoline-8-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 590.75 |
| Molecular Formula: | C31 H38 N6 O4 S |
| Smiles: | C1CCCN([C@H]2C[C@@H](C[C@H]2C(NCC1)=O)C(N1CCN(CC1)c1ccccn1)=O)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8563 |
| logD: | 2.8475 |
| logSw: | -3.1576 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.667 |
| InChI Key: | ILZAMWQNLVWFPZ-NXCFDTQHSA-N |