(E)-3-(furan-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Formula:C19H19N3O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide
MolecularFormula	C19H19N3O4S2
Smiles	O=C(/C=C/c1ccco1)Nc1nc(ccc(S(N2CCCCC2)(=O)=O)c2)c2s1
InChI	InChI=1S/C19H19N3O4S2/c23-18(9-6-14-5-4-12-26-14)21-19-20-16-8-7-15(13-17(16)27-19)28(24,25)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,21,23)
InChIK	ZKMVQIQPNYBEAI-UHFFFAOYSA-N
TotalMolweight	417.509
Molweight	417.509
MonoisotopicMass	417.081697
CLogP	3.3342
CLogS	-4.242
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.9
Relative PSA	0.33809
PolarSurfaceArea	129.13
Druglikeness	0.50932
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	6
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon

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