(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Formula:C27H23N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C27H23N4O4ClS
Smiles	[O-][N+](c1ccc(COc2ccc(/C=C3/SC(N(CC4)CCN4c4cccc(Cl)c4)=NC3=O)cc2)cc1)=O
InChI	InChI=1S/C27H23ClN4O4S/c28-21-2-1-3-23(17-21)30-12-14-31(15-13-30)27-29-26(33)25(37-27)16-19-6-10-24(11-7-19)36-18-20-4-8-22(9-5-20)32(34)35/h1-11,16-17H,12-15,18H2
InChIK	NGQMGENRJQXHJU-UHFFFAOYSA-N
TotalMolweight	535.023
Molweight	535.023
MonoisotopicMass	534.112853
CLogP	4.1631
CLogS	-6.794
H Acceptors	8
TotalSurfaceArea	387.19
Relative PSA	0.23131
PolarSurfaceArea	116.26
Druglikeness	0.96064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	6
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Request More Details | (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments