rel-(9aR,12aS)-1-benzoyl-5-[(3-fluoropyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-[(3-fluoropyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-[(3-fluoropyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0793 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-[(3-fluoropyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C24 H29 F N4 O2 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCN2C(c1ccccc1)=O)Cc1ccncc1F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8551 |
| logD: | 1.8219 |
| logSw: | -2.2464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.932 |
| InChI Key: | MLNWPJPERZXOSX-IRLDBZIGSA-N |