C1CN(CCN1CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F
Nombre: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]quinazolin-4-one
SMILES: C1CN(CCN1CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F

Molecular Processing

Molecular formula
C21H21F3N4O
Molecular weight
402.42
Exact mass
402.1667
XLogP
3.24
TPSA
41.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.1

Supplementary Information

InChIKey: PZBWQEDHVRNVOX-UHFFFAOYSA-N
Sinónimos
3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl) quinazoline-4(3H)-oneSCHEMBL8750583-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl) quinazoline-4 (3H)-one3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4 (3H)-one3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4(3H)-one
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