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

Formula:C30H19N3O3BrF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5'Z)-9-bromo-2-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]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-phenyl-5'-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H19N3O3BrF3S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc(cc3)c2cc3Br)S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C30H19BrF3N3O3S/c31-20-9-11-26-22(14-20)24-16-23(17-5-2-1-3-6-17)36-37(24)30(40-26)27(41-28(38)35-30)15-21-10-12-25(39-21)18-7-4-8-19(13-18)29(32,33)34/h1-15,24H,16H2,(H,35,38)
InChIKVJJMFMVWBGVDSK-UHFFFAOYSA-N
TotalMolweight638.463
Molweight638.463
MonoisotopicMass637.028257
CLogP8.3858
CLogS-9.268
H Acceptors6
H Donors1
TotalSurfaceArea401.17
Relative PSA0.20231
PolarSurfaceArea92.37
Druglikeness-3.5014
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

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