2-(3-chloro-4-cyanophenyl)-3-cyclobutyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

HCID 24984071
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Basic information

Standard SMILES
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CCC3C2C2CCC2)cc1Cl
InChIKey
CRYDENMXDBTLTA-UHFFFAOYSA-N
Molecular formula
C23H20ClN3O2
Average molar mass
405.9 g/mol
Monoisotopic mass
405.1244046

Names & identifiers

Preferred name
2-(3-chloro-4-cyanophenyl)-3-cyclobutyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid
IUPAC
2-(3-chloro-4-cyanophenyl)-3-cyclobutyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid

Names & synonyms

SCHEMBL551370CRYDENMXDBTLTA-UHFFFAOYSA-N2-(3-chloro-4-cyanophenyl)-3-cyclobutyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

Database identifiers

PubChem CID
24984071

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
76.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Linked notes

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