rel-(9aR,12aS)-1-benzoyl-5-(furan-2-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-(furan-2-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-(furan-2-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0724 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-(furan-2-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCN2C(c1ccccc1)=O)C(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3054 |
| logD: | 1.3054 |
| logSw: | -1.9692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.909 |
| InChI Key: | DITIWCIKYDQZGG-MOPGFXCFSA-N |