(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C22H19N5O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C22H19N5O4S
Smiles	N=C(/C1=C/c2ccc(-c3ccccc3)o2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChI	InChI=1S/C22H19N5O4S/c23-20-16(12-15-6-7-17(31-15)14-4-2-1-3-5-14)21(29)24-22-27(20)25-18(32-22)13-19(28)26-8-10-30-11-9-26/h1-7,12,23H,8-11,13H2
InChIK	PHIIUFYSERMMCS-UHFFFAOYSA-N
TotalMolweight	449.49
Molweight	449.49
MonoisotopicMass	449.115775
CLogP	0.8664
CLogS	-2.738
H Acceptors	9
H Donors	1
TotalSurfaceArea	325.56
Relative PSA	0.34832
PolarSurfaceArea	136.86
Druglikeness	7.2592
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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