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

Formula:C28H20N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]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-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C28H20N5O2ClS
Smiles	N=C(/C1=C/c2cn(CCOc3ccccc3)c3c2cccc3)N2N=C(c(cccc3)c3Cl)SC2=NC1=O
InChI	InChI=1S/C28H20ClN5O2S/c29-23-12-6-4-11-21(23)27-32-34-25(30)22(26(35)31-28(34)37-27)16-18-17-33(24-13-7-5-10-20(18)24)14-15-36-19-8-2-1-3-9-19/h1-13,16-17,30H,14-15H2
InChIK	PYGICOOACFNZST-UHFFFAOYSA-N
TotalMolweight	526.019
Molweight	526.019
MonoisotopicMass	525.102622
CLogP	4.9965
CLogS	-6.142
H Acceptors	7
H Donors	1
TotalSurfaceArea	379.02
Relative PSA	0.23632
PolarSurfaceArea	108.34
Druglikeness	6.5079
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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

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