(6E)-5-imino-2-phenyl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C23H13N4O2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-5-imino-2-phenyl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-5-imino-2-phenyl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H13N4O2F3S
Smiles	N=C(/C1=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N2N=C(c3ccccc3)SC2=NC1=O
InChI	InChI=1S/C23H13F3N4O2S/c24-23(25,26)15-8-4-7-14(11-15)18-10-9-16(32-18)12-17-19(27)30-22(28-20(17)31)33-21(29-30)13-5-2-1-3-6-13/h1-12,27H
InChIK	ZSRMPUSHOZMKJA-UHFFFAOYSA-N
TotalMolweight	466.442
Molweight	466.442
MonoisotopicMass	466.07113
CLogP	4.7308
CLogS	-6.501
H Acceptors	6
H Donors	1
TotalSurfaceArea	321.43
Relative PSA	0.27007
PolarSurfaceArea	107.32
Druglikeness	-1.2897
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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1 - (6E)-5-imino-2-phenyl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-5-imino-2-phenyl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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