(6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C26H23N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[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-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H23N5O5S
Smiles	N=C(/C1=C/c(cc2)ccc2OCc(cc2)cc3c2OCO3)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O
InChI	InChI=1S/C26H23N5O5S/c27-24-19(25(33)28-26-31(24)29-22(37-26)13-23(32)30-9-1-2-10-30)11-16-3-6-18(7-4-16)34-14-17-5-8-20-21(12-17)36-15-35-20/h3-8,11-12,27H,1-2,9-10,13-15H2
InChIK	SRBAZGIDNUVMIJ-UHFFFAOYSA-N
TotalMolweight	517.565
Molweight	517.565
MonoisotopicMass	517.14199
CLogP	2.209
CLogS	-3.949
H Acceptors	10
H Donors	1
TotalSurfaceArea	369.89
Relative PSA	0.3225
PolarSurfaceArea	142.18
Druglikeness	7.1176
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
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-oxo-2-pyrrolidin-1-ylethyl)-[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-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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