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

Formula:C24H15N4O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C24H15N4O4ClS
Smiles	N#C/C(/C(Nc1ncc(Cc(cccc2)c2Cl)s1)=O)=C\c1ccc(-c2cc([N+]([O-])=O)ccc2)o1
InChI	InChI=1S/C24H15ClN4O4S/c25-21-7-2-1-4-15(21)12-20-14-27-24(34-20)28-23(30)17(13-26)11-19-8-9-22(33-19)16-5-3-6-18(10-16)29(31)32/h1-11,14H,12H2,(H,27,28,30)
InChIK	DJZZQEAOGPAACY-UHFFFAOYSA-N
TotalMolweight	490.926
Molweight	490.926
MonoisotopicMass	490.050253
CLogP	5.135
CLogS	-7.98
H Acceptors	8
H Donors	1
TotalSurfaceArea	365.41
Relative PSA	0.31176
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	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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

Click to Load Molecule:

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

Request More Details | (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments