rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0753 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C27 H35 N3 O2 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCc1ccccc1)CCCN2C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.42 |
| logD: | 2.3302 |
| logSw: | -3.4649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.393 |
| InChI Key: | OVTGGVNNLIOBRI-RPBOFIJWSA-N |