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

Formula:C24H23N4O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-2-(2-cyclohexylethyl)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-(2-cyclohexylethyl)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C24H23N4O2FS
Smiles	N=C(/C1=C/c2ccc(-c(cc3)ccc3F)o2)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C24H23FN4O2S/c25-17-9-7-16(8-10-17)20-12-11-18(31-20)14-19-22(26)29-24(27-23(19)30)32-21(28-29)13-6-15-4-2-1-3-5-15/h7-12,14-15,26H,1-6,13H2
InChIK	AUYPJFKCXTWTEE-UHFFFAOYSA-N
TotalMolweight	450.537
Molweight	450.537
MonoisotopicMass	450.152574
CLogP	3.8528
CLogS	-5.476
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.88
Relative PSA	0.26
PolarSurfaceArea	107.32
Druglikeness	-0.23296
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
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	4
BasicNitrogens	1
StereoCon

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

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