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C18H12N3O2Cl3S | Cheminformatics
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N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide

Molecular Formula : C18H12N3O2Cl3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide is not a drug-like molecule.

MolName : N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide

MolecularFormula : C18H12N3O2Cl3S

Smiles : O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c(s1)cnc1Cl

InChI : InChI=1S/C18H12Cl3N3O2S/c19-15-6-1-11(7-16(15)20)10-26-13-4-2-12(3-5-13)17(25)24-23-9-14-8-22-18(21)27-14/h1-9H,10H2,(H,24,25)

InChIK : XPUUYXGGSIYKSS-UHFFFAOYSA-N

TotalMolweight : 440.737

Molweight : 440.737

MonoisotopicMass : 438.971578

CLogP : 5.7747

CLogS : -6.982

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 311.47

Relative PSA : 0.24831

PolarSurfaceArea : 91.82

Druglikeness : 5.0947

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.7037

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 2

Aromatic Nitrogens : 1

StereoCon :

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1 - N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
2 - N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
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