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

Formula:C29H18N3O3Cl3S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-2-(4-chlorophenyl)-5'-[[5-(3,5-dichlorophenyl)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-(4-chlorophenyl)-5'-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC29H18N3O3Cl3S
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)S/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C29H18Cl3N3O3S/c30-18-7-5-16(6-8-18)23-15-24-22-3-1-2-4-26(22)38-29(35(24)34-23)27(39-28(36)33-29)14-21-9-10-25(37-21)17-11-19(31)13-20(32)12-17/h1-14,24H,15H2,(H,33,36)
InChIKPWMKPQAPMLCZBU-UHFFFAOYSA-N
TotalMolweight594.905
Molweight594.905
MonoisotopicMass593.013443
CLogP8.6303
CLogS-9.864
H Acceptors6
H Donors1
TotalSurfaceArea399.34
Relative PSA0.20324
PolarSurfaceArea92.37
Druglikeness5.5255
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms39
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms5
Amides1
StereoConunknown chirality

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