Basic information
- Standard SMILES
O=C1[C@H](Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN1C1CCCc2cn[nH]c21- InChIKey
KRJRQJMKGQIROL-NVHKAFQKSA-N- Molecular formula
- C25H25Cl2N3O2
- Average molar mass
- 470.4 g/mol
Names & identifiers
- Preferred name
- (R)-3-(4-benzyloxy-2,6-dichloro-benzyl)-1-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-pyrrolidin-2-one
- IUPAC
- (3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidin-2-one
Names & synonyms
SCHEMBL2205431KRJRQJMKGQIROL-NVHKAFQKSA-N(3R)-3-(4-Benzyloxy-2,6-dichloro-benzyl)-1-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-pyrrolidin-2-one(R)-3-(4-benzyloxy-2,6-dichloro-benzyl)-1-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-pyrrolidin-2-one
Database identifiers
- PubChem CID
- 67316393
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Linked notes
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