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(5'Z)-9-bromo-2-(4-chlorophenyl)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C29H17N3O3BrCl3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5'Z)-9-bromo-2-(4-chlorophenyl)-5'-[[5-(2,6-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)-9-bromo-2-(4-chlorophenyl)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC29H17N3O3BrCl3S
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Br)S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChIInChI=1S/C29H17BrCl3N3O3S/c30-16-6-10-24-19(12-16)23-14-22(15-4-7-17(31)8-5-15)35-36(23)29(39-24)26(40-28(37)34-29)13-18-9-11-25(38-18)27-20(32)2-1-3-21(27)33/h1-13,23H,14H2,(H,34,37)
InChIKMPCYJDUCJINVES-UHFFFAOYSA-N
TotalMolweight673.801
Molweight673.801
MonoisotopicMass670.923954
CLogP9.3555
CLogS-10.698
H Acceptors6
H Donors1
TotalSurfaceArea417.97
Relative PSA0.19418
PolarSurfaceArea92.37
Druglikeness3.7355
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms5
Amides1
StereoConunknown chirality

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