rel-(9aR,12aS)-N-(2-fluorophenyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-(2-fluorophenyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-(2-fluorophenyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0211 |
| Compound Name: | rel-(9aR,12aS)-N-(2-fluorophenyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C19 H26 F N3 O2 |
| Smiles: | C1CCCN(C(Nc2ccccc2F)=O)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.725 |
| logD: | 2.725 |
| logSw: | -3.0496 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.997 |
| InChI Key: | DIYHTMJRYXLIMW-PBHICJAKSA-N |