2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C27H17N2O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C27H17N2O4ClS
Smiles	OC(c(ccc(-c1ccc(/C=C(\C(N2c3ccccc3)=O)/S/C2=N\c2ccccc2)o1)c1)c1Cl)=O
InChI	InChI=1S/C27H17ClN2O4S/c28-22-15-17(11-13-21(22)26(32)33)23-14-12-20(34-23)16-24-25(31)30(19-9-5-2-6-10-19)27(35-24)29-18-7-3-1-4-8-18/h1-16H,(H,32,33)
InChIK	GMVRRIBBIUTCCS-UHFFFAOYSA-N
TotalMolweight	500.961
Molweight	500.961
MonoisotopicMass	500.059755
CLogP	5.708
CLogS	-8.059
H Acceptors	6
H Donors	1
TotalSurfaceArea	361.47
Relative PSA	0.23747
PolarSurfaceArea	108.41
Druglikeness	4.2833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Request More Details | 2-chloro-4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments