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

Formula:C30H17N3O3BrCl2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5'Z)-9-bromo-2-(4-chlorophenyl)-5'-[[5-[2-chloro-5-(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)-9-bromo-2-(4-chlorophenyl)-5'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H17N3O3BrCl2F3S
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Br)S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChIInChI=1S/C30H17BrCl2F3N3O3S/c31-17-4-9-26-21(12-17)24-14-23(15-1-5-18(32)6-2-15)38-39(24)30(42-26)27(43-28(40)37-30)13-19-7-10-25(41-19)20-11-16(29(34,35)36)3-8-22(20)33/h1-13,24H,14H2,(H,37,40)
InChIKXPPDPYRVFUWHJN-UHFFFAOYSA-N
TotalMolweight707.353
Molweight707.353
MonoisotopicMass704.950311
CLogP9.5978
CLogS-10.74
H Acceptors6
H Donors1
TotalSurfaceArea432.01
Relative PSA0.18787
PolarSurfaceArea92.37
Druglikeness-3.4545
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.44186
Fragments1
Non HAtoms43
NonCHAtoms13
Electronegative Atoms13
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

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