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MolName : (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

MolecularFormula : C24H14N3O2Cl3S

Smiles : N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1

InChI : InChI=1S/C24H14Cl3N3O2S/c25-17-3-1-14(2-4-17)22-8-6-19(32-22)10-16(12-28)23(31)30-24-29-13-20(33-24)11-15-9-18(26)5-7-21(15)27/h1-10,13H,11H2,(H,29,30,31)

InChIK : JSUJGZMWEORPPP-UHFFFAOYSA-N

TotalMolweight : 514.819

Molweight : 514.819

MonoisotopicMass : 512.987228

CLogP : 7.2686

CLogS : -8.992

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 372.58

Relative PSA : 0.22411

PolarSurfaceArea : 107.16

Druglikeness : 0.5528

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : twice activated DB; limit! thiazol-2-ylamine

Shape Index : 0.60606

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :