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

Formula:C24H14N4O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C24H14N4O4Cl2S
Smiles	N#C/C(/C(Nc1ncc(Cc(cccc2)c2Cl)s1)=O)=C\c1ccc(-c(cc2)cc([N+]([O-])=O)c2Cl)o1
InChI	InChI=1S/C24H14Cl2N4O4S/c25-19-4-2-1-3-14(19)10-18-13-28-24(35-18)29-23(31)16(12-27)9-17-6-8-22(34-17)15-5-7-20(26)21(11-15)30(32)33/h1-9,11,13H,10H2,(H,28,29,31)
InChIK	GNTSZAKSSCABFO-UHFFFAOYSA-N
TotalMolweight	525.371
Molweight	525.371
MonoisotopicMass	524.01128
CLogP	5.741
CLogS	-8.716
H Acceptors	8
H Donors	1
TotalSurfaceArea	380.83
Relative PSA	0.29914
PolarSurfaceArea	152.98
Druglikeness	-4.4494
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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