4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid

Formula:C24H22N2O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid
MolecularFormula	C24H22N2O3F2
Smiles	OC(CCC(N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C24H22F2N2O3/c25-18-8-4-15(5-9-18)14-17-2-1-3-20-23(17)27-28(21(29)12-13-22(30)31)24(20)16-6-10-19(26)11-7-16/h4-11,14,20,24H,1-3,12-13H2,(H,30,31)
InChIK	UIZUUVXQIBFHTF-UHFFFAOYSA-N
TotalMolweight	424.446
Molweight	424.446
MonoisotopicMass	424.159849
CLogP	4.2468
CLogS	-5.045
H Acceptors	5
H Donors	1
TotalSurfaceArea	312.35
Relative PSA	0.17365
PolarSurfaceArea	69.97
Druglikeness	-0.77422
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
AcidicOxygens	1
StereoCon	unknown chirality

Click to Load Molecule:

1 - 4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid | 2 - 4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid

Request More Details | 4-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments