4-({2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}sulfonyl)morpholine-2-carboxylic acid

HCID 57937366
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Basic information

Standard SMILES
CC(C)(C)c1nc2cc(S(=O)(=O)N3CCOC(C(=O)O)C3)ccc2n1CC1CCC(F)(F)CC1
InChIKey
IRYZQKRWDPTDAD-UHFFFAOYSA-N
Molecular formula
C23H31F2N3O5S
Average molar mass
499.6 g/mol

Names & identifiers

Preferred name
4-({2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}sulfonyl)morpholine-2-carboxylic acid
IUPAC
4-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonylmorpholine-2-carboxylic acid

Names & synonyms

4-({2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}sulfonyl)morpholine-2-carboxylic acidSCHEMBL1609884

Database identifiers

PubChem CID
57937366

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
34

Related reactions

5 records
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Compound notes

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