Menu

(1E)-1-[1-(3,4-dichlorophenyl)-2-oxo-5-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-ylidene]-3-[4-(trifluoromethoxy)phenyl]urea

Formula:C24H12N4O4Cl2F6S Mutagenic:low Tumorigenic:low Reproductive Effective:none (1E)-1-[1-(3,4-dichlorophenyl)-2-oxo-5-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-ylidene]-3-[4-(trifluoromethoxy)phenyl]urea is not a drug-like molecule.
MolName(1E)-1-[1-(3,4-dichlorophenyl)-2-oxo-5-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-ylidene]-3-[4-(trifluoromethoxy)phenyl]urea
MolecularFormulaC24H12N4O4Cl2F6S
SmilesO=C(Nc(cc1)ccc1OC(F)(F)F)/N=C(\C(N(C1=O)c(cc2)cc(Cl)c2Cl)=S)/N1c(cc1)ccc1OC(F)(F)F
InChIInChI=1S/C24H12Cl2F6N4O4S/c25-17-10-5-14(11-18(17)26)36-20(41)19(34-21(37)33-12-1-6-15(7-2-12)39-23(27,28)29)35(22(36)38)13-3-8-16(9-4-13)40-24(30,31)32/h1-11H,(H,33,37)
InChIKBEKWQUHNMSJNNW-UHFFFAOYSA-N
TotalMolweight637.343
Molweight637.343
MonoisotopicMass635.986048
CLogP7.0645
CLogS-10.185
H Acceptors8
H Donors1
TotalSurfaceArea412.28
Relative PSA0.25262
PolarSurfaceArea115.56
Druglikeness-6.3376
Mutageniclow
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.46341
Fragments1
Non HAtoms41
NonCHAtoms17
Electronegative Atoms17
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms8
Amides3
StereoCon

Request More Details | (1E)-1-[1-(3,4-dichlorophenyl)-2-oxo-5-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-ylidene]-3-[4-(trifluoromethoxy)phenyl]urea


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments