Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cscn2)C1- InChIKey
UAEQZWRRAHVGFJ-VWLOTQADSA-N- Molecular formula
- C25H25FN4O3S
- Average molar mass
- 480.6 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 1-(4-fluorophenyl)-4a-(thiazole-4-carbonyl)-4a,5,7,8-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline-6(4H)-carboxylate
- IUPAC
- tert-butyl (4aR)-1-(4-fluorophenyl)-4a-(1,3-thiazole-4-carbonyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-6-carboxylate
Names & synonyms
SCHEMBL15454920UAEQZWRRAHVGFJ-VWLOTQADSA-N(R)-tert-butyl 1-(4-fluorophenyl)-4a-(thiazole-4-carbonyl)-4a,5,7,8-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline-6(4H)-carboxylate
Database identifiers
- PubChem CID
- 86709999
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 841
Related reactions
4 records
Compound notes
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