rel-(9aR,11R,12aS)-11-[3-(pyridin-3-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-(pyridin-3-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-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S763-0376 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 391.9 |
| Molecular Formula: | C19 H25 N5 O2 |
| Salt: | HCl |
| Smiles: | C1CCCN[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5356 |
| logD: | -0.5363 |
| logSw: | -1.6917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.22 |
| InChI Key: | XPWAXBDCBRMLOY-OAGGEKHMSA-N |