(E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Formula:C24H17N3O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
MolecularFormula	C24H17N3O2Cl2S2
Smiles	O=C(CSc1nc(ccc(NC(/C=C/c2ccccc2)=O)c2)c2s1)Nc1cccc(Cl)c1Cl
InChI	InChI=1S/C24H17Cl2N3O2S2/c25-17-7-4-8-19(23(17)26)28-22(31)14-32-24-29-18-11-10-16(13-20(18)33-24)27-21(30)12-9-15-5-2-1-3-6-15/h1-13H,14H2,(H,27,30)(H,28,31)
InChIK	VGABPEDACVWAFF-UHFFFAOYSA-N
TotalMolweight	514.456
Molweight	514.456
MonoisotopicMass	513.013921
CLogP	6.2105
CLogS	-7.86
H Acceptors	5
H Donors	2
TotalSurfaceArea	369.09
Relative PSA	0.26503
PolarSurfaceArea	124.63
Druglikeness	0.3822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Request More Details | (E)-N-[2-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments