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

Formula:C23H20N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C23H20N6O3S
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C\c2c(-c3ccccc3)[nH]nc2)=NC1=O)=O
InChI	InChI=1S/C23H20N6O3S/c30-22-20(14-17-15-24-26-21(17)16-6-2-1-3-7-16)33-23(25-22)28-12-10-27(11-13-28)18-8-4-5-9-19(18)29(31)32/h1-9,14-15H,10-13H2,(H,24,26)
InChIK	ZOYLFZCOQUIFQZ-UHFFFAOYSA-N
TotalMolweight	460.517
Molweight	460.517
MonoisotopicMass	460.131759
CLogP	1.8528
CLogS	-5.068
H Acceptors	9
H Donors	1
TotalSurfaceArea	336.34
Relative PSA	0.31076
PolarSurfaceArea	135.71
Druglikeness	3.1158
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one

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