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

Formula:C29H21N4O5ClS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[2-(4-chlorophenyl)-2'-oxospiro[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-(4-chlorophenyl)-2'-oxospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-5'-ylidene]methyl]furan-2-yl]benzenesulfonamide
MolecularFormulaC29H21N4O5ClS2
SmilesNS(c(cc1)ccc1-c1ccc(/C=C(/C(N2)(N(C3C4)N=C4c(cc4)ccc4Cl)Oc4c3cccc4)\SC2=O)o1)(=O)=O
InChIInChI=1S/C29H21ClN4O5S2/c30-19-9-5-17(6-10-19)23-16-24-22-3-1-2-4-26(22)39-29(34(24)33-23)27(40-28(35)32-29)15-20-11-14-25(38-20)18-7-12-21(13-8-18)41(31,36)37/h1-15,24H,16H2,(H,32,35)(H2,31,36,37)
InChIKITSCLQRHEAXDBU-UHFFFAOYSA-N
TotalMolweight605.094
Molweight605.094
MonoisotopicMass604.064188
CLogP6.1823
CLogS-8.291
H Acceptors9
H Donors2
TotalSurfaceArea405.6
Relative PSA0.30821
PolarSurfaceArea160.91
Druglikeness9.5621
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4878
Fragments1
Non HAtoms41
NonCHAtoms12
Electronegative Atoms12
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms5
Amides2
StereoConunknown chirality

Request More Details | 4-[5-[(Z)-[2-(4-chlorophenyl)-2'-oxospiro[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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