1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea

Formula:C22H16N2O3ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea is not a drug-like molecule.

MolName	1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea
MolecularFormula	C22H16N2O3ClF3
Smiles	O=C(N[C@@]1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1)N(Cc1ccccc1)c1ccccc1
InChI	InChI=1S/C22H16ClF3N2O3/c23-16-11-12-18-19(13-16)31-22(30-18,21(24,25)26)27-20(29)28(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,27,29)/t22-/m1/s1
InChIK	YNMWUAFMFVALFI-JOCHJYFZSA-N
TotalMolweight	448.827
Molweight	448.827
MonoisotopicMass	448.080154
CLogP	6.6338
CLogS	-6.541
H Acceptors	5
H Donors	1
TotalSurfaceArea	307.84
Relative PSA	0.15609
PolarSurfaceArea	50.8
Druglikeness	-5.8279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - 1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea | 2 - 1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea

Request More Details | 1-benzyl-3-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments