(5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

Formula:C22H29N3O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C22H29N3O4S
Smiles	O=C(CN(C(/C(/S1)=C/c2ccc(N3CCCCCC3)o2)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C22H29N3O4S/c26-19(23-11-5-1-2-6-12-23)16-25-21(27)18(30-22(25)28)15-17-9-10-20(29-17)24-13-7-3-4-8-14-24/h9-10,15H,1-8,11-14,16H2
InChIK	ZZDBDMWOCZUJCS-UHFFFAOYSA-N
TotalMolweight	431.555
Molweight	431.555
MonoisotopicMass	431.187877
CLogP	3.2826
CLogS	-4.887
H Acceptors	7
TotalSurfaceArea	327.68
Relative PSA	0.24832
PolarSurfaceArea	99.37
Druglikeness	1.5626
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	14
Symmetricatoms	6
Amides	2
StereoCon

Click to Load Molecule:

1 - (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

Request More Details | (5Z)-5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments