(E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C22H17N3O3BrFS Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C22H17N3O3BrFS
Smiles	O=C(COc(ccc1ccccc11)c1Br)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C22H17BrFN3O3S/c23-21-17-4-2-1-3-15(17)8-11-18(21)30-13-20(29)26-27-22(31)25-19(28)12-7-14-5-9-16(24)10-6-14/h1-12H,13H2,(H,26,29)(H2,25,27,28,31)
InChIK	ADUFEYXYXIRWAB-UHFFFAOYSA-N
TotalMolweight	502.363
Molweight	502.363
MonoisotopicMass	501.015801
CLogP	3.7245
CLogS	-6.759
H Acceptors	6
H Donors	3
TotalSurfaceArea	345.45
Relative PSA	0.28502
PolarSurfaceArea	111.55
Druglikeness	-2.0103
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Request More Details | (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments