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4-[5-[(Z)-(2'-oxo-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-5'-ylidene)methyl]furan-2-yl]benzenesulfonamide

Formula:C29H22N4O5S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-(2'-oxo-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-5'-ylidene)methyl]furan-2-yl]benzenesulfonamide is not a drug-like molecule.
MolName4-[5-[(Z)-(2'-oxo-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-5'-ylidene)methyl]furan-2-yl]benzenesulfonamide
MolecularFormulaC29H22N4O5S2
SmilesNS(c(cc1)ccc1-c1ccc(/C=C(/C(N2)(N(C3C4)N=C4c4ccccc4)Oc4c3cccc4)\SC2=O)o1)(=O)=O
InChIInChI=1S/C29H22N4O5S2/c30-40(35,36)21-13-10-19(11-14-21)25-15-12-20(37-25)16-27-29(31-28(34)39-27)33-24(22-8-4-5-9-26(22)38-29)17-23(32-33)18-6-2-1-3-7-18/h1-16,24H,17H2,(H,31,34)(H2,30,35,36)
InChIKSBZYLJXOEODPJG-UHFFFAOYSA-N
TotalMolweight570.649
Molweight570.649
MonoisotopicMass570.103161
CLogP5.5763
CLogS-7.555
H Acceptors9
H Donors2
TotalSurfaceArea390.18
Relative PSA0.32039
PolarSurfaceArea160.91
Druglikeness8.4049
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms5
Amides2
StereoConunknown chirality

Request More Details | 4-[5-[(Z)-(2'-oxo-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-5'-ylidene)methyl]furan-2-yl]benzenesulfonamide


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