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

Formula:C26H23N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H23N5O6S
Smiles	N=C(/C1=C/c(cc2)ccc2OCc(cc2)cc3c2OCO3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChI	InChI=1S/C26H23N5O6S/c27-24-19(25(33)28-26-31(24)29-22(38-26)13-23(32)30-7-9-34-10-8-30)11-16-1-4-18(5-2-16)35-14-17-3-6-20-21(12-17)37-15-36-20/h1-6,11-12,27H,7-10,13-15H2
InChIK	GKMRWFSKCTZRRQ-UHFFFAOYSA-N
TotalMolweight	533.564
Molweight	533.564
MonoisotopicMass	533.136905
CLogP	1.387
CLogS	-3.33
H Acceptors	11
H Donors	1
TotalSurfaceArea	379.89
Relative PSA	0.34034
PolarSurfaceArea	151.41
Druglikeness	6.5098
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60526
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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

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