CN1C(C2=C(CCCC2=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=C4)C#N)Br
الاسم: 3-bromo-4-[3-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinazolin-4-yl]benzonitrile
SMILES: CN1C(C2=C(CCCC2=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=C4)C#N)Br

Molecular Processing

Molecular formula
C23H17BrF3N3O2
Molecular weight
504.31
Exact mass
503.0456
XLogP
5.96
TPSA
64.41
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
114.56

Supplementary Information

InChIKey: YHTGJYFSQSVNNN-UHFFFAOYSA-N
مرادفات
3-Bromo-4-[3-methyl-2,5-dioxo-1-(3-trifluoromethyl-phenyl)-1,2,3,4,5,6,7,8-octahydro-quinazolin-4-yl]-benzonitrileSCHEMBL17475413
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