(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-benzoyl-4-chloroanilino)prop-2-enenitrile

Formula:C26H16N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-benzoyl-4-chloroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-benzoyl-4-chloroanilino)prop-2-enenitrile
MolecularFormula	C26H16N3O3ClS
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\Nc(ccc(Cl)c1)c1C(c1ccccc1)=O
InChI	InChI=1S/C26H16ClN3O3S/c27-19-7-8-21(20(11-19)25(31)16-4-2-1-3-5-16)29-13-18(12-28)26-30-22(14-34-26)17-6-9-23-24(10-17)33-15-32-23/h1-11,13-14,29H,15H2
InChIK	MOJDGIDMOREMIU-UHFFFAOYSA-N
TotalMolweight	485.95
Molweight	485.95
MonoisotopicMass	485.060089
CLogP	4.931
CLogS	-7.93
H Acceptors	6
H Donors	1
TotalSurfaceArea	358.55
Relative PSA	0.24931
PolarSurfaceArea	112.48
Druglikeness	-1.4987
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-benzoyl-4-chloroanilino)prop-2-enenitrile | 2 - (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-benzoyl-4-chloroanilino)prop-2-enenitrile

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