4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Formula:C22H15N5O4S3 Mutagenic:none Tumorigenic:low Reproductive Effective:low 4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is not a drug-like molecule.

MolName	4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MolecularFormula	C22H15N5O4S3
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C22H15N5O4S3/c23-10-15(21-26-18(12-33-21)14-1-6-19-20(9-14)31-13-30-19)11-25-16-2-4-17(5-3-16)34(28,29)27-22-24-7-8-32-22/h1-9,11-12,25H,13H2,(H,24,27)
InChIK	QYLNNPUHGATPHI-UHFFFAOYSA-N
TotalMolweight	509.59
Molweight	509.59
MonoisotopicMass	509.028615
CLogP	3.1194
CLogS	-6.16
H Acceptors	9
H Donors	2
TotalSurfaceArea	360.12
Relative PSA	0.4102
PolarSurfaceArea	191.09
Druglikeness	1.6094
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide | 2 - 4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

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