rel-(9aR,12aS)-1-benzoyl-N-benzyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-N-benzyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
rel-(9aR,12aS)-1-benzoyl-N-benzyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Compound characteristics
| Compound ID: | SB82-0795 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-N-benzyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCN(CCCN2C(c1ccccc1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8763 |
| logD: | 1.8763 |
| logSw: | -2.4543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.473 |
| InChI Key: | SNWPSJSBYKVDCX-PKTZIBPZSA-N |