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4-[5-[(Z)-[9-bromo-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:C29H20N4O5BrClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[9-bromo-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)-[9-bromo-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
MolecularFormulaC29H20N4O5BrClS2
SmilesNS(c(cc1)ccc1-c1ccc(/C=C(/C(N2)(N(C3C4)N=C4c(cc4)ccc4Cl)Oc(cc4)c3cc4Br)\SC2=O)o1)(=O)=O
InChIInChI=1S/C29H20BrClN4O5S2/c30-18-5-11-26-22(13-18)24-15-23(16-1-6-19(31)7-2-16)34-35(24)29(40-26)27(41-28(36)33-29)14-20-8-12-25(39-20)17-3-9-21(10-4-17)42(32,37)38/h1-14,24H,15H2,(H,33,36)(H2,32,37,38)
InChIKQJMLFIQYXRKUFV-UHFFFAOYSA-N
TotalMolweight683.99
Molweight683.99
MonoisotopicMass681.974699
CLogP6.9075
CLogS-9.125
H Acceptors9
H Donors2
TotalSurfaceArea424.23
Relative PSA0.29468
PolarSurfaceArea160.91
Druglikeness7.62
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47619
Fragments1
Non HAtoms42
NonCHAtoms13
Electronegative Atoms13
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-(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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