2-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Formula:C23H13N4OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
MolecularFormula	C23H13N4OF3S
Smiles	O=C(c(cccc1)c1N=C1/C=C/c2cc3nsnc3cc2)N1c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C23H13F3N4OS/c24-23(25,26)15-4-3-5-16(13-15)30-21(27-18-7-2-1-6-17(18)22(30)31)11-9-14-8-10-19-20(12-14)29-32-28-19/h1-13H
InChIK	MMEKZQGYMQTBLD-UHFFFAOYSA-N
TotalMolweight	450.443
Molweight	450.443
MonoisotopicMass	450.076215
CLogP	5.675
CLogS	-2.468
H Acceptors	5
TotalSurfaceArea	314.32
Relative PSA	0.22398
PolarSurfaceArea	86.69
Druglikeness	-4.4016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 2-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one | 2 - 2-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

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