(E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-thiophen-2-ylprop-2-enamide

Formula:C22H18N2OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C22H18N2OS3
Smiles	O=C(/C=C/c1cccs1)Nc(sc1c2CCCC1)c2-c1nc(cccc2)c2s1
InChI	InChI=1S/C22H18N2OS3/c25-19(12-11-14-6-5-13-26-14)24-22-20(15-7-1-3-9-17(15)27-22)21-23-16-8-2-4-10-18(16)28-21/h2,4-6,8,10-13H,1,3,7,9H2,(H,24,25)
InChIK	CGBQSDCMZSTJBA-UHFFFAOYSA-N
TotalMolweight	422.596
Molweight	422.596
MonoisotopicMass	422.058123
CLogP	6.0481
CLogS	-6.321
H Acceptors	3
H Donors	1
TotalSurfaceArea	311.21
Relative PSA	0.31024
PolarSurfaceArea	126.71
Druglikeness	-2.4941
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-thiophen-2-ylprop-2-enamide

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