(E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C18H15N3O3ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C18H15N3O3ClFS
Smiles	O=C(COc(cc1)ccc1Cl)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C18H15ClFN3O3S/c19-13-4-8-15(9-5-13)26-11-17(25)22-23-18(27)21-16(24)10-3-12-1-6-14(20)7-2-12/h1-10H,11H2,(H,22,25)(H2,21,23,24,27)
InChIK	IOFHBWWTYRIQQF-UHFFFAOYSA-N
TotalMolweight	407.852
Molweight	407.852
MonoisotopicMass	407.050667
CLogP	2.4109
CLogS	-5.055
H Acceptors	6
H Donors	3
TotalSurfaceArea	307.64
Relative PSA	0.32005
PolarSurfaceArea	111.55
Druglikeness	-0.1466
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.74074
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Request More Details | (E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments