rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S763-1563 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 404.94 |
| Molecular Formula: | C21 H28 N4 O2 |
| Salt: | HCl |
| Smiles: | C1CCCN[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(Cc2ccccc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5307 |
| logD: | 0.4587 |
| logSw: | -2.8838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.693 |
| InChI Key: | DUTQGCSJOCACDV-KURKYZTESA-N |