(5Z)-5-benzylidene-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one

Formula:C20H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-benzylidene-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-5-benzylidene-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C20H18N4O3S
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(S/C1=C\c2ccccc2)=NC1=O)=O
InChI	InChI=1S/C20H18N4O3S/c25-19-18(14-15-4-2-1-3-5-15)28-20(21-19)23-12-10-22(11-13-23)16-6-8-17(9-7-16)24(26)27/h1-9,14H,10-13H2
InChIK	IPAFYRIRINQPAC-UHFFFAOYSA-N
TotalMolweight	394.454
Molweight	394.454
MonoisotopicMass	394.109961
CLogP	2.209
CLogS	-4.717
H Acceptors	7
TotalSurfaceArea	288.25
Relative PSA	0.27601
PolarSurfaceArea	107.03
Druglikeness	1.1825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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