1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Formula:C15H13N2OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is a drug-like molecule.

MolName	1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
MolecularFormula	C15H13N2OF3S
Smiles	O=C(NCc1ccc(C(F)(F)F)cc1)N/C=C/c1cccs1
InChI	InChI=1S/C15H13F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)10-20-14(21)19-8-7-13-2-1-9-22-13/h1-9H,10H2,(H2,19,20,21)
InChIK	QJVNVLCSKICFTL-UHFFFAOYSA-N
TotalMolweight	326.341
Molweight	326.341
MonoisotopicMass	326.070067
CLogP	3.2473
CLogS	-4.763
H Acceptors	3
H Donors	2
TotalSurfaceArea	239.35
Relative PSA	0.2353
PolarSurfaceArea	69.37
Druglikeness	-4.0317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - 1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea | 2 - 1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Request More Details | 1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments