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

Formula:C26H16N6OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6Z)-6-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H16N6OCl2S
Smiles	N=C(/C1=C/c2cn(Cc(c(Cl)ccc3)c3Cl)c3c2cccc3)N2N=C(c3cnccc3)SC2=NC1=O
InChI	InChI=1S/C26H16Cl2N6OS/c27-20-7-3-8-21(28)19(20)14-33-13-16(17-6-1-2-9-22(17)33)11-18-23(29)34-26(31-24(18)35)36-25(32-34)15-5-4-10-30-12-15/h1-13,29H,14H2
InChIK	GLVJNJLADVBKPR-UHFFFAOYSA-N
TotalMolweight	531.426
Molweight	531.426
MonoisotopicMass	530.048333
CLogP	4.6844
CLogS	-5.918
H Acceptors	7
H Donors	1
TotalSurfaceArea	369.44
Relative PSA	0.24507
PolarSurfaceArea	112
Druglikeness	6.2665
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Request More Details | (6Z)-6-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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