(6Z)-2-cyclohexyl-6-[(2,4-dichlorophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C18H16N4OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-cyclohexyl-6-[(2,4-dichlorophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-cyclohexyl-6-[(2,4-dichlorophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C18H16N4OCl2S
Smiles	N=C(/C1=C/c(ccc(Cl)c2)c2Cl)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C18H16Cl2N4OS/c19-12-7-6-11(14(20)9-12)8-13-15(21)24-18(22-16(13)25)26-17(23-24)10-4-2-1-3-5-10/h6-10,21H,1-5H2
InChIK	CBZGQDPJHRJIEU-UHFFFAOYSA-N
TotalMolweight	407.324
Molweight	407.324
MonoisotopicMass	406.042185
CLogP	3.1163
CLogS	-4.634
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.4
Relative PSA	0.25835
PolarSurfaceArea	94.18
Druglikeness	0.16135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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