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

Formula:C20H18N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C20H18N4O4S
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(S/C1=C\c(cccc2)c2O)=NC1=O)=O
InChI	InChI=1S/C20H18N4O4S/c25-17-4-2-1-3-14(17)13-18-19(26)21-20(29-18)23-11-9-22(10-12-23)15-5-7-16(8-6-15)24(27)28/h1-8,13,25H,9-12H2
InChIK	AIRGHPVBQNHECC-UHFFFAOYSA-N
TotalMolweight	410.453
Molweight	410.453
MonoisotopicMass	410.104876
CLogP	1.8633
CLogS	-4.421
H Acceptors	8
H Donors	1
TotalSurfaceArea	294.6
Relative PSA	0.31453
PolarSurfaceArea	127.26
Druglikeness	1.1717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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