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C19H12N4OCl2S | Cheminformatics
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4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide

Molecular Formula : C19H12N4OCl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide is a drug-like molecule.

MolName : 4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide

MolecularFormula : C19H12N4OCl2S

Smiles : NC(c(cc1)ccc1N/C=C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)\C#N)=O

InChI : InChI=1S/C19H12Cl2N4OS/c20-13-3-6-15(16(21)7-13)17-10-27-19(25-17)12(8-22)9-24-14-4-1-11(2-5-14)18(23)26/h1-7,9-10,24H,(H2,23,26)

InChIK : FPKMQOUJMDLQJV-UHFFFAOYSA-N

TotalMolweight : 415.303

Molweight : 415.303

MonoisotopicMass : 414.010885

CLogP : 3.3829

CLogS : -5.944

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 302.47

Relative PSA : 0.2799

PolarSurfaceArea : 120.04

Druglikeness : -1.1515

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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1 - 4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
2 - 4-[[(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
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