(6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C23H13N3O2ClFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H13N3O2ClFS
Smiles	N=C(/C1=C\c2ccc(-c(cc3)cc(Cl)c3F)o2)N(C(c2ccccc2)=CS2)C2=NC1=O
InChI	InChI=1S/C23H13ClFN3O2S/c24-17-10-14(6-8-18(17)25)20-9-7-15(30-20)11-16-21(26)28-19(13-4-2-1-3-5-13)12-31-23(28)27-22(16)29/h1-12,26H
InChIK	KIEFYDMMMNPBHL-UHFFFAOYSA-N
TotalMolweight	449.892
Molweight	449.892
MonoisotopicMass	449.040102
CLogP	4.4497
CLogS	-5.979
H Acceptors	5
H Donors	1
TotalSurfaceArea	315.48
Relative PSA	0.23868
PolarSurfaceArea	94.96
Druglikeness	3.0576
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Request More Details | (6E)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments