[4-[(Z)-[2-(4-fluorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate

Formula:C23H13N4O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[2-(4-fluorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.

MolName	[4-[(Z)-[2-(4-fluorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C23H13N4O4FS
Smiles	N=C(/C1=C/c(cc2)ccc2OC(c2ccco2)=O)N2N=C(c(cc3)ccc3F)SC2=NC1=O
InChI	InChI=1S/C23H13FN4O4S/c24-15-7-5-14(6-8-15)21-27-28-19(25)17(20(29)26-23(28)33-21)12-13-3-9-16(10-4-13)32-22(30)18-2-1-11-31-18/h1-12,25H
InChIK	ZGIQZGWLTSGRDZ-UHFFFAOYSA-N
TotalMolweight	460.444
Molweight	460.444
MonoisotopicMass	460.064154
CLogP	3.6636
CLogS	-5.729
H Acceptors	8
H Donors	1
TotalSurfaceArea	326.07
Relative PSA	0.33689
PolarSurfaceArea	133.62
Druglikeness	3.4428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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1 - [4-[(Z)-[2-(4-fluorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[2-(4-fluorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate

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