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(5'Z)-9-bromo-5'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C30H18N3O3BrClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5'Z)-9-bromo-5'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-phenylspiro[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)-9-bromo-5'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H18N3O3BrClF3S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc(cc3)c2cc3Br)S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChIInChI=1S/C30H18BrClF3N3O3S/c31-18-7-10-26-21(13-18)24-15-23(16-4-2-1-3-5-16)37-38(24)30(41-26)27(42-28(39)36-30)14-19-8-11-25(40-19)20-12-17(29(33,34)35)6-9-22(20)32/h1-14,24H,15H2,(H,36,39)
InChIKKTVVUEWPPOAUAP-UHFFFAOYSA-N
TotalMolweight672.908
Molweight672.908
MonoisotopicMass670.989284
CLogP8.9918
CLogS-10.004
H Acceptors6
H Donors1
TotalSurfaceArea416.59
Relative PSA0.19482
PolarSurfaceArea92.37
Druglikeness-3.4545
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms42
NonCHAtoms12
Electronegative Atoms12
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

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