Name: 4-(2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4,5,6,7,8-octahydroquinazolin-4-yl)-benzonitrile
SMILES:
N#Cc1ccc(C2NC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1Molecular Processing
Molecular formula
C22H16F3N3O2
Molecular weight
411.38
Exact mass
411.1195
XLogP
4.86
TPSA
73.2
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
102.24
Supplementary Information
Details werden geladen…
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