[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-fluorobenzoate

Formula:C24H13N5O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-fluorobenzoate is not a drug-like molecule.

MolName	[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-fluorobenzoate
MolecularFormula	C24H13N5O3ClFS
Smiles	N=C(/C1=C/c(cc2)cc(Cl)c2OC(c(cccc2)c2F)=O)N2N=C(c3cnccc3)SC2=NC1=O
InChI	InChI=1S/C24H13ClFN5O3S/c25-17-11-13(7-8-19(17)34-23(33)15-5-1-2-6-18(15)26)10-16-20(27)31-24(29-21(16)32)35-22(30-31)14-4-3-9-28-12-14/h1-12,27H
InChIK	JAIHEUSNXSJECU-UHFFFAOYSA-N
TotalMolweight	505.916
Molweight	505.916
MonoisotopicMass	505.041165
CLogP	4.08
CLogS	-5.988
H Acceptors	8
H Donors	1
TotalSurfaceArea	350.56
Relative PSA	0.3044
PolarSurfaceArea	133.37
Druglikeness	3.6517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-fluorobenzoate | 2 - [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-fluorobenzoate

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