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Chemical structure of TTA-Q6(isomer)

GC30128

TTA-Q6(isomer)

Also known as 4-[(4R)-6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1H-quinazolin-4-yl]benzonitrile

TTA-Q6(isomer) is an isomer of TTA-Q6

ChemicalCAS910484-32-1MW405.8FormulaC20H15ClF3N3O
CAS number
910484-32-1
Molecular weight
405.8
Formula
C20H15ClF3N3O
Solubility
DMSO ： 125 mg/mL (308·03 mM)
InChIKey
OVRNWJYZCIAMGV-FQEVSTJZSA-N
Catalogue number
GC30128
Brand
GLPBIO
Computed properties PubChem CID 124404458 · XLogP 4.4 · TPSA 56.1 Ų · H-bond donors 1
XLogP
4.4
TPSA
56.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

SMILES C1CC1[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)N2CC(F)(F)F)C4=CC=C(C=C4)C#N

Computed descriptors from PubChem (CID 124404458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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