N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]benzothiazole-2-carboxamide

HCID 44515673
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Basic information

Standard SMILES
COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2nc3ccccc3s2)c1
InChIKey
XWKVDJPXXJDJLR-SLQAJWMNSA-N
Molecular formula
C31H25FN4O3S
Average molar mass
552.6 g/mol

Names & identifiers

Preferred name
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]benzothiazole-2-carboxamide
IUPAC
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-benzothiazole-2-carboxamide

Names & synonyms

SCHEMBL835008XWKVDJPXXJDJLR-SLQAJWMNSA-NN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]benzothiazole-2-carboxamide

Database identifiers

PubChem CID
44515673

Properties

Computed structural properties

XLogP
7
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
40

Related reactions

2 records
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Compound notes

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