(6Z)-2-[(4-chlorophenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C23H15N4O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-2-[(4-chlorophenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-[(4-chlorophenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H15N4O2ClS
Smiles	N=C(/C1=C/c2ccc(-c3ccccc3)o2)N2N=C(Cc(cc3)ccc3Cl)SC2=NC1=O
InChI	InChI=1S/C23H15ClN4O2S/c24-16-8-6-14(7-9-16)12-20-27-28-21(25)18(22(29)26-23(28)31-20)13-17-10-11-19(30-17)15-4-2-1-3-5-15/h1-11,13,25H,12H2
InChIK	RKEFUOAANGMJBQ-UHFFFAOYSA-N
TotalMolweight	446.917
Molweight	446.917
MonoisotopicMass	446.060423
CLogP	3.547
CLogS	-5.167
H Acceptors	6
H Donors	1
TotalSurfaceArea	321.15
Relative PSA	0.27031
PolarSurfaceArea	107.32
Druglikeness	6.0752
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
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 - (6Z)-2-[(4-chlorophenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-[(4-chlorophenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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