4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide

Formula:C18H19N6O5BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is not a drug-like molecule.

MolName	4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C18H19N6O5BrS2
Smiles	O=C(CCC(N(CC1)CCN1S(c(s1)ccc1Br)(=O)=O)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C18H19BrN6O5S2/c19-12-2-6-16(31-12)32(29,30)25-9-7-24(8-10-25)15(27)5-4-14(26)21-13-3-1-11-17(22-13)23-18(28)20-11/h1-3,6H,4-5,7-10H2,(H3,20,21,22,23,26,28)
InChIK	SXQRCZHBGHFRAJ-UHFFFAOYSA-N
TotalMolweight	543.422
Molweight	543.422
MonoisotopicMass	542.00417
CLogP	1.676
CLogS	-4.085
H Acceptors	11
H Donors	3
TotalSurfaceArea	338.72
Relative PSA	0.41483
PolarSurfaceArea	177.43
Druglikeness	2.5045
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	3
Amides	5
Aromatic Nitrogens	1
StereoCon

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1 - 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide

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