rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0750 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCN2C(c1ccccc1)=O)C(CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4765 |
| logD: | 2.4765 |
| logSw: | -2.8875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.803 |
| InChI Key: | JNGQGSPLYYCROX-RPWUZVMVSA-N |