(2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C22H12N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C22H12N4O6S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)cc1)=O
InChI	InChI=1S/C22H12N4O6S/c27-21-20(33-22-23-16-3-1-2-4-17(16)24(21)22)11-13-5-8-15(9-6-13)32-19-10-7-14(25(28)29)12-18(19)26(30)31/h1-12H
InChIK	OBLMDVZTNGTOCV-UHFFFAOYSA-N
TotalMolweight	460.425
Molweight	460.425
MonoisotopicMass	460.047756
CLogP	3.0586
CLogS	-7.352
H Acceptors	10
TotalSurfaceArea	319.13
Relative PSA	0.37355
PolarSurfaceArea	161.06
Druglikeness	-1.7419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Request More Details | (2Z)-2-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments