trans-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide

HCID 57714920
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Basic information

Standard SMILES
CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIKey
MWFJQAVODUNRTJ-UHFFFAOYSA-N
Molecular formula
C25H30F3N5O3S
Average molar mass
537.6 g/mol
Monoisotopic mass
537.2021455

Names & identifiers

Preferred name
trans-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide
IUPAC
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

Names & synonyms

trans-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamideSCHEMBL3938814SCHEMBL3938818MWFJQAVODUNRTJ-UHFFFAOYSA-N

Database identifiers

PubChem CID
57714920

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
37

Related reactions

1 records
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Compound notes

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