(E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one

Formula:C29H31N2O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
MolecularFormula	C29H31N2O2F
Smiles	O=C(/C=C/c(cc1)ccc1OCCCF)N(CC1)CCN1C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C29H31FN2O2/c30-18-7-23-34-27-15-12-24(13-16-27)14-17-28(33)31-19-21-32(22-20-31)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-17,29H,7,18-23H2
InChIK	UEBGUQKJPPGWKE-UHFFFAOYSA-N
TotalMolweight	458.575
Molweight	458.575
MonoisotopicMass	458.236956
CLogP	5.4715
CLogS	-4.444
H Acceptors	4
TotalSurfaceArea	369.3
Relative PSA	0.081614
PolarSurfaceArea	32.78
Druglikeness	3.6153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	12
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one

Request More Details | (E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments