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

Formula:C29H18N3O3BrCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5'Z)-9-bromo-5'-[[5-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC29H18N3O3BrCl2S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc(cc3)c2cc3Br)S/C1=C\c1ccc(-c(cccc2Cl)c2Cl)o1
InChIInChI=1S/C29H18BrCl2N3O3S/c30-17-9-11-25-20(13-17)23-15-22(16-5-2-1-3-6-16)34-35(23)29(38-25)26(39-28(36)33-29)14-18-10-12-24(37-18)19-7-4-8-21(31)27(19)32/h1-14,23H,15H2,(H,33,36)
InChIKZWNXEQALASNXAQ-UHFFFAOYSA-N
TotalMolweight639.356
Molweight639.356
MonoisotopicMass636.962927
CLogP8.7495
CLogS-9.962
H Acceptors6
H Donors1
TotalSurfaceArea402.55
Relative PSA0.20161
PolarSurfaceArea92.37
Druglikeness3.7355
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4359
Fragments1
Non HAtoms39
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms2
Amides1
StereoConunknown chirality

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