rel-(3aR,5aR,9aR)-5-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
Chemical Structure Depiction of
rel-(3aR,5aR,9aR)-5-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
rel-(3aR,5aR,9aR)-5-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one
Compound characteristics
| Compound ID: | S527-0003 |
| Compound Name: | rel-(3aR,5aR,9aR)-5-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H-pyrrolo[3,4-c]indol-1-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C16 H22 N4 O2 |
| Smiles: | [H][C@@]12CCCC[C@]13C(NC[C@@H]3CN2C(c1ccnn1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6719 |
| logD: | 0.6719 |
| logSw: | -1.8522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.783 |
| InChI Key: | PCYDOAQHYNVCCR-FFSVYQOJSA-N |