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

Formula:C24H14N3O2BrCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C24H14N3O2BrCl2S
Smiles	N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C24H14BrCl2N3O2S/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	BFMHHCLEZQMHGP-UHFFFAOYSA-N
TotalMolweight	559.27
Molweight	559.27
MonoisotopicMass	556.936712
CLogP	7.3878
CLogS	-9.09
H Acceptors	5
H Donors	1
TotalSurfaceArea	375.79
Relative PSA	0.2222
PolarSurfaceArea	107.16
Druglikeness	-1.2372
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

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

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