1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone

Formula:C32H28N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone is not a drug-like molecule.

MolName	1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone
MolecularFormula	C32H28N2O2
Smiles	O=C(COc1cc2ccccc2cc1)N(C(C1CCC2)c3ccccc3)N=C1/C2=C\c1ccccc1
InChI	InChI=1S/C32H28N2O2/c35-30(22-36-28-19-18-24-12-7-8-15-26(24)21-28)34-32(25-13-5-2-6-14-25)29-17-9-16-27(31(29)33-34)20-23-10-3-1-4-11-23/h1-8,10-15,18-21,29,32H,9,16-17,22H2
InChIK	WQZBBAVVNYGCSQ-UHFFFAOYSA-N
TotalMolweight	472.586
Molweight	472.586
MonoisotopicMass	472.215078
CLogP	6.6258
CLogS	-6.958
H Acceptors	4
TotalSurfaceArea	366.15
Relative PSA	0.10406
PolarSurfaceArea	41.9
Druglikeness	0.65997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	4
StereoCon	unknown chirality

Click to Load Molecule:

1 - 1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone | 2 - 1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone

Request More Details | 1-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-naphthalen-2-yloxyethanone

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments