Basic information
- Standard SMILES
N#Cc1ccc(N2N=C3c4ccc(C(=O)OCC(=O)OCc5ccccc5)cc4CCC3C2C2CCCC2)cc1Cl- InChIKey
ZFAKFZUTEMPAQL-UHFFFAOYSA-N- Molecular formula
- C33H30ClN3O4
- Average molar mass
- 568.1 g/mol
Names & identifiers
- Preferred name
- (+/-)-(3SR,3aRS)-2-(benzyloxy)-2-oxoethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate
- IUPAC
- (2-oxo-2-phenylmethoxyethyl) 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylate
Names & synonyms
SCHEMBL3811368ZFAKFZUTEMPAQL-UHFFFAOYSA-N(+/-)-(3SR,3aRS)-2-(benzyloxy)-2-oxoethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate
Database identifiers
- PubChem CID
- 68797933
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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