rel-(9aR,11R,12aS)-11-[3-(propan-2-yl)-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-(propan-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
rel-(9aR,11R,12aS)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S763-0078 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 356.89 |
| Molecular Formula: | C17 H28 N4 O2 |
| Salt: | HCl |
| Smiles: | CC(C)c1nc([C@H]2C[C@H]3[C@@H](C2)C(NCCCCCCN3)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0028 |
| logD: | -0.0691 |
| logSw: | -2.5471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | GCSDVRSLTDWYJK-MCIONIFRSA-N |