(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C17H16N5O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C17H16N5O3BrS
Smiles	N=C(/C1=C/c(o2)ccc2Br)N2N=C(CC(N3CCCCC3)=O)SC2=NC1=O
InChI	InChI=1S/C17H16BrN5O3S/c18-12-5-4-10(26-12)8-11-15(19)23-17(20-16(11)25)27-13(21-23)9-14(24)22-6-2-1-3-7-22/h4-5,8,19H,1-3,6-7,9H2
InChIK	KIRXMUFVNYRVOK-UHFFFAOYSA-N
TotalMolweight	450.316
Molweight	450.316
MonoisotopicMass	449.015721
CLogP	1.1028
CLogS	-2.446
H Acceptors	8
H Donors	1
TotalSurfaceArea	288.19
Relative PSA	0.35879
PolarSurfaceArea	127.63
Druglikeness	2.7201
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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