(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide

Formula:C24H15N3O2BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C24H15N3O2BrClS
Smiles	N#C/C(/C(Nc1ncc(Cc(cc2)ccc2Br)s1)=O)=C\c1ccc(-c2cc(Cl)ccc2)o1
InChI	InChI=1S/C24H15BrClN3O2S/c25-18-6-4-15(5-7-18)10-21-14-28-24(32-21)29-23(30)17(13-27)12-20-8-9-22(31-20)16-2-1-3-19(26)11-16/h1-9,11-12,14H,10H2,(H,28,29,30)
InChIK	FEZCDZQDLZDUPC-UHFFFAOYSA-N
TotalMolweight	524.825
Molweight	524.825
MonoisotopicMass	522.975685
CLogP	6.7818
CLogS	-8.354
H Acceptors	5
H Donors	1
TotalSurfaceArea	360.37
Relative PSA	0.23171
PolarSurfaceArea	107.16
Druglikeness	-1.2372
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
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

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1 - (E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide | 2 - (E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide

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