(5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Formula:C21H21N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C21H21N3O2S
Smiles	Oc1cccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1
InChI	InChI=1S/C21H21N3O2S/c25-18-8-4-7-17(13-18)14-19-20(26)22-21(27-19)24-11-9-23(10-12-24)15-16-5-2-1-3-6-16/h1-8,13-14,25H,9-12,15H2
InChIK	GOMJVUOOUNURJJ-UHFFFAOYSA-N
TotalMolweight	379.483
Molweight	379.483
MonoisotopicMass	379.135447
CLogP	2.7668
CLogS	-3.439
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.69
Relative PSA	0.21862
PolarSurfaceArea	81.44
Druglikeness	7.1417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - (5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Request More Details | (5E)-2-(4-benzylpiperazin-1-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments