(6Z)-2-(2-chlorophenyl)-5-imino-6-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C29H19N4O2ClS Mutagenic:low Tumorigenic:high Reproductive Effective:none (6Z)-2-(2-chlorophenyl)-5-imino-6-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6Z)-2-(2-chlorophenyl)-5-imino-6-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C29H19N4O2ClS
Smiles	N=C(/C1=C/c(cc2)ccc2OCc2cccc3ccccc23)N2N=C(c(cccc3)c3Cl)SC2=NC1=O
InChI	InChI=1S/C29H19ClN4O2S/c30-25-11-4-3-10-23(25)28-33-34-26(31)24(27(35)32-29(34)37-28)16-18-12-14-21(15-13-18)36-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16,31H,17H2
InChIK	VHZALMDZEVXGQV-UHFFFAOYSA-N
TotalMolweight	523.015
Molweight	523.015
MonoisotopicMass	522.091723
CLogP	6.0921
CLogS	-7.946
H Acceptors	6
H Donors	1
TotalSurfaceArea	376.06
Relative PSA	0.21991
PolarSurfaceArea	103.41
Druglikeness	4.9201
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - (6Z)-2-(2-chlorophenyl)-5-imino-6-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-(2-chlorophenyl)-5-imino-6-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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