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

HCID 57715591
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Basic information

Standard SMILES
CN(C)c1nc(NCC2CCC(CNC(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIKey
VHYCAQRBCCEAKO-UHFFFAOYSA-N
Molecular formula
C26H30F3N5O2
Average molar mass
501.5 g/mol

Names & identifiers

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

Names & synonyms

trans-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzamideSCHEMBL3943497SCHEMBL3943500VHYCAQRBCCEAKO-HDICACEKSA-NVHYCAQRBCCEAKO-UHFFFAOYSA-N

Database identifiers

PubChem CID
57715591

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
79.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
36

Related reactions

1 records
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Compound notes

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