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

Formula:C24H14N4O4BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-chloro-4-nitrophenyl)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-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C24H14N4O4BrClS
Smiles	N#C/C(/C(Nc1ncc(Cc(cc2)ccc2Br)s1)=O)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1
InChI	InChI=1S/C24H14BrClN4O4S/c25-16-3-1-14(2-4-16)9-19-13-28-24(35-19)29-23(31)15(12-27)10-18-6-8-22(34-18)20-7-5-17(30(32)33)11-21(20)26/h1-8,10-11,13H,9H2,(H,28,29,31)
InChIK	SKXAUKGUUWGEKY-UHFFFAOYSA-N
TotalMolweight	569.822
Molweight	569.822
MonoisotopicMass	567.960764
CLogP	5.8602
CLogS	-8.814
H Acceptors	8
H Donors	1
TotalSurfaceArea	384.04
Relative PSA	0.29664
PolarSurfaceArea	152.98
Druglikeness	-6.2394
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.62857
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
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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