(5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C20H18N2O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C20H18N2O2Cl2S
Smiles	O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C20H18Cl2N2O2S/c21-13-5-7-16(22)15(11-13)17-8-6-14(26-17)12-18-19(25)23-20(27-18)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2
InChIK	OHCKUHXEPDBSAH-UHFFFAOYSA-N
TotalMolweight	421.347
Molweight	421.347
MonoisotopicMass	420.046602
CLogP	5.2419
CLogS	-7.001
H Acceptors	4
TotalSurfaceArea	302.33
Relative PSA	0.19747
PolarSurfaceArea	71.11
Druglikeness	0.91002
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	3
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Request More Details | (5Z)-2-(azepan-1-yl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments