C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)NC(=O)N2CC(F)(F)F)C(F)(F)F
名称: 6-chloro-4-phenyl-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILES: C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)NC(=O)N2CC(F)(F)F)C(F)(F)F

Molecular Processing

Molecular formula
C17H11ClF6N2O
Molecular weight
408.73
Exact mass
408.0464
XLogP
5.56
TPSA
32.34
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
86.51

Supplementary Information

InChIKey: DTRUYBHENWSKBA-UHFFFAOYSA-N
同義語
6-chloro-4-phenyl-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-oneSCHEMBL24696096-Chloro-4-phenyl-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydro-quinazolin-2 (1H)-one6-Chloro-4-phenyl-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydro-quinazolin-2(1H)-one
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