(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile

Formula:C27H22N3O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
MolecularFormula	C27H22N3O2Cl2F
Smiles	N#C/C(/C(N(CC1)CCN1c1ccccc1)=O)=C\c(cc1Cl)cc(Cl)c1OCc1cc(F)ccc1
InChI	InChI=1S/C27H22Cl2FN3O2/c28-24-15-20(16-25(29)26(24)35-18-19-5-4-6-22(30)14-19)13-21(17-31)27(34)33-11-9-32(10-12-33)23-7-2-1-3-8-23/h1-8,13-16H,9-12,18H2
InChIK	KHRVNOADCOPUQD-UHFFFAOYSA-N
TotalMolweight	510.395
Molweight	510.395
MonoisotopicMass	509.107309
CLogP	5.7806
CLogS	-6.442
H Acceptors	5
TotalSurfaceArea	380.04
Relative PSA	0.11499
PolarSurfaceArea	56.57
Druglikeness	1.5783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile | 2 - (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile

Request More Details | (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments