rel-(3aR,5aR,9aR)-5-(3-phenyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
Chemical Structure Depiction of
rel-(3aR,5aR,9aR)-5-(3-phenyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
rel-(3aR,5aR,9aR)-5-(3-phenyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
Compound characteristics
| Compound ID: | S527-0017 |
| Compound Name: | rel-(3aR,5aR,9aR)-5-(3-phenyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | [H][C@@]12CCCC[C@]13C(NC[C@@H]3CN2C(c1cc(c2ccccc2)n[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6026 |
| logD: | 2.6007 |
| logSw: | -2.9664 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.184 |
| InChI Key: | XTCCEEAUIPDDII-LIVBEALHSA-N |