rel-(9aR,12aS)-1-benzoyl-5-[(pyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-[(pyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-[(pyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0738 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-[(pyridin-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C24 H30 N4 O2 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCN2C(c1ccccc1)=O)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.255 |
| logD: | 1.1764 |
| logSw: | -1.9296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.843 |
| InChI Key: | BFIMKWFNLMJWEZ-YADHBBJMSA-N |