(E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

Formula:C27H22N5O5ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide is not a drug-like molecule.

MolName	(E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide
MolecularFormula	C27H22N5O5ClS
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/C(Nc(cc3)ccc3-c3cnco3)=O)=O)n2)c1Cl)=O
InChI	InChI=1S/C27H22ClN5O5S/c28-21-6-3-19(13-23(21)33(36)37)22-15-39-27(31-22)18-9-11-32(12-10-18)26(35)8-7-25(34)30-20-4-1-17(2-5-20)24-14-29-16-38-24/h1-8,13-16,18H,9-12H2,(H,30,34)
InChIK	DBLZMZLJUFRVNN-UHFFFAOYSA-N
TotalMolweight	564.021
Molweight	564.021
MonoisotopicMass	563.103017
CLogP	4.4285
CLogS	-6.795
H Acceptors	10
H Donors	1
TotalSurfaceArea	412.58
Relative PSA	0.31005
PolarSurfaceArea	162.39
Druglikeness	-0.048581
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide | 2 - (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

Request More Details | (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments