Menu

(5'Z)-2-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C30H20N3O3F3S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-2-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one is not a drug-like molecule.
MolName(5'Z)-2-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H20N3O3F3S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C30H20F3N3O3S/c31-29(32,33)20-10-6-9-19(15-20)25-14-13-21(38-25)16-27-30(34-28(37)40-27)36-24(22-11-4-5-12-26(22)39-30)17-23(35-36)18-7-2-1-3-8-18/h1-16,24H,17H2,(H,34,37)
InChIKTTWVGIHEYZRIBA-UHFFFAOYSA-N
TotalMolweight559.567
Molweight559.567
MonoisotopicMass559.117746
CLogP7.6606
CLogS-8.434
H Acceptors6
H Donors1
TotalSurfaceArea382.54
Relative PSA0.21216
PolarSurfaceArea92.37
Druglikeness-1.7114
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45
Fragments1
Non HAtoms40
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

Request More Details | (5'Z)-2-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one


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