Tert-butyl 2-[[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate

HCID 72393471
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Basic information

Standard SMILES
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCC(c5ccccc5)N4C(=O)OC(C)(C)C)ncn3)cccc2s1
InChIKey
FJGFKSQNPMEYPW-UHFFFAOYSA-N
Molecular formula
C36H33F3N6O5S
Average molar mass
718.7 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-[[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-[[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL5145983FJGFKSQNPMEYPW-UHFFFAOYSA-Ntert-butyl 2-[[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate

Database identifiers

PubChem CID
72393471

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
164 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
9
Heavy atoms
51

Related reactions

2 records
New reaction record

Compound notes

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