3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C24H15N3O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C24H15N3O4S
Smiles	N=C(/C1=C\c2ccc(-c3cc(C(O)=O)ccc3)o2)N(C(c2ccccc2)=CS2)C2=NC1=O
InChI	InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)
InChIK	NXVLUZVMQGFUFA-UHFFFAOYSA-N
TotalMolweight	441.466
Molweight	441.466
MonoisotopicMass	441.078327
CLogP	3.8104
CLogS	-4.942
H Acceptors	7
H Donors	2
TotalSurfaceArea	317.81
Relative PSA	0.31918
PolarSurfaceArea	132.26
Druglikeness	4.2912
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid

Request More Details | 3-[5-[(E)-(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments