(S)-1-{3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carbonyl}-pyrrolidine-2-carboxylic acid methyl ester

HCID 46180895
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Basic information

Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Nc3nc4ccc(F)cc4s3)c2)no1
InChIKey
ZNDLKGCFURCZIA-SFHVURJKSA-N
Molecular formula
C23H19FN4O4S
Average molar mass
466.5 g/mol

Names & identifiers

Preferred name
(S)-1-{3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carbonyl}-pyrrolidine-2-carboxylic acid methyl ester
IUPAC
methyl (2S)-1-[3-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate

Names & synonyms

SCHEMBL2296648ZNDLKGCFURCZIA-SFHVURJKSA-N(S)-1-{3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carbonyl}-pyrrolidine-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
46180895

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
126 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Linked notes

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