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

Formula:C24H23N4O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C24H23N4O2ClS
Smiles	N=C(/C1=C/c2ccc(-c(cccc3)c3Cl)o2)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C24H23ClN4O2S/c25-19-9-5-4-8-17(19)20-12-11-16(31-20)14-18-22(26)29-24(27-23(18)30)32-21(28-29)13-10-15-6-2-1-3-7-15/h4-5,8-9,11-12,14-15,26H,1-3,6-7,10,13H2
InChIK	IRVFAYUYQIHHIH-UHFFFAOYSA-N
TotalMolweight	466.992
Molweight	466.992
MonoisotopicMass	466.123023
CLogP	4.358
CLogS	-5.898
H Acceptors	6
H Donors	1
TotalSurfaceArea	342.95
Relative PSA	0.25313
PolarSurfaceArea	107.32
Druglikeness	1.1536
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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

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