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4-[5-[(Z)-(9-bromo-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:C29H21N4O5BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-(9-bromo-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)-(9-bromo-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
MolecularFormulaC29H21N4O5BrS2
SmilesNS(c(cc1)ccc1-c1ccc(/C=C(/C(N2)(N(C3C4)N=C4c4ccccc4)Oc(cc4)c3cc4Br)\SC2=O)o1)(=O)=O
InChIInChI=1S/C29H21BrN4O5S2/c30-19-8-12-26-22(14-19)24-16-23(17-4-2-1-3-5-17)33-34(24)29(39-26)27(40-28(35)32-29)15-20-9-13-25(38-20)18-6-10-21(11-7-18)41(31,36)37/h1-15,24H,16H2,(H,32,35)(H2,31,36,37)
InChIKYOYBSGHZZHLYAU-UHFFFAOYSA-N
TotalMolweight649.545
Molweight649.545
MonoisotopicMass648.013672
CLogP6.3015
CLogS-8.389
H Acceptors9
H Donors2
TotalSurfaceArea408.81
Relative PSA0.30579
PolarSurfaceArea160.91
Druglikeness6.4354
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46341
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)-(9-bromo-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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