[2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate

Formula:C26H24N2O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate is a drug-like molecule.

MolName	[2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate
MolecularFormula	C26H24N2O6
Smiles	O=C(COC(COc1ccccc1)=O)N(C(C1CCC2)c3ccco3)N=C1/C2=C/c1ccco1
InChI	InChI=1S/C26H24N2O6/c29-23(16-34-24(30)17-33-19-8-2-1-3-9-19)28-26(22-12-6-14-32-22)21-11-4-7-18(25(21)27-28)15-20-10-5-13-31-20/h1-3,5-6,8-10,12-15,21,26H,4,7,11,16-17H2
InChIK	VHKXYSYIMYLLKD-UHFFFAOYSA-N
TotalMolweight	460.485
Molweight	460.485
MonoisotopicMass	460.163438
CLogP	3.3667
CLogS	-4.619
H Acceptors	8
TotalSurfaceArea	352.44
Relative PSA	0.25355
PolarSurfaceArea	94.48
Druglikeness	1.4392
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
StereoCon	unknown chirality

Click to Load Molecule:

1 - [2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate | 2 - [2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate

Request More Details | [2-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-phenoxyacetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments