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

Formula:C27H24N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(1-benzylindol-3-yl)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-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C27H24N6O3S
Smiles	N=C(/C1=C/c2cn(Cc3ccccc3)c3c2cccc3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChI	InChI=1S/C27H24N6O3S/c28-25-21(14-19-17-32(16-18-6-2-1-3-7-18)22-9-5-4-8-20(19)22)26(35)29-27-33(25)30-23(37-27)15-24(34)31-10-12-36-13-11-31/h1-9,14,17,28H,10-13,15-16H2
InChIK	KKBNLYVGOBFIII-UHFFFAOYSA-N
TotalMolweight	512.593
Molweight	512.593
MonoisotopicMass	512.163059
CLogP	1.4572
CLogS	-2.256
H Acceptors	9
H Donors	1
TotalSurfaceArea	373.43
Relative PSA	0.28428
PolarSurfaceArea	128.65
Druglikeness	6.532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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

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