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

Formula:C23H14N4O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (6E)-2-benzyl-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-2-benzyl-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H14N4O2Cl2S
Smiles	N=C(/C1=C\c2ccc(-c(cc(cc3)Cl)c3Cl)o2)N2N=C(Cc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C23H14Cl2N4O2S/c24-14-6-8-18(25)16(11-14)19-9-7-15(31-19)12-17-21(26)29-23(27-22(17)30)32-20(28-29)10-13-4-2-1-3-5-13/h1-9,11-12,26H,10H2
InChIK	JVFAURPKSBQBLJ-UHFFFAOYSA-N
TotalMolweight	481.362
Molweight	481.362
MonoisotopicMass	480.02145
CLogP	4.153
CLogS	-5.903
H Acceptors	6
H Donors	1
TotalSurfaceArea	336.57
Relative PSA	0.25793
PolarSurfaceArea	107.32
Druglikeness	6.0752
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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

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