rel-(9aR,13aS)-N-[(4-fluorophenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-[(4-fluorophenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-[(4-fluorophenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0222 |
| Compound Name: | rel-(9aR,13aS)-N-[(4-fluorophenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C21 H30 F N3 O2 |
| Smiles: | C1CCCN(C(NCc2ccc(cc2)F)=O)[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RELATIVE |
| logP: | 2.8861 |
| logD: | 2.8861 |
| logSw: | -3.079 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.651 |
| InChI Key: | HPSVFNRNMVNHIT-MOPGFXCFSA-N |