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

Formula:C40H29N5O2BrClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-9-bromo-2-(4-chlorophenyl)-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]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'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC40H29N5O2BrClS
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Br)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C40H29BrClN5O2S/c41-29-15-20-37-32(22-29)36-24-34(27-13-16-30(42)17-14-27)45-47(36)40(49-37)38(50-39(48)43-40)21-25-11-18-31(19-12-25)46-35(28-9-5-2-6-10-28)23-33(44-46)26-7-3-1-4-8-26/h1-22,35-36H,23-24H2,(H,43,48)
InChIKLKIPDBLOPUYGAK-UHFFFAOYSA-N
TotalMolweight759.126
Molweight759.126
MonoisotopicMass757.091383
CLogP10.667
CLogS-10.699
H Acceptors7
H Donors1
TotalSurfaceArea503.23
Relative PSA0.16317
PolarSurfaceArea94.83
Druglikeness2.9495
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44
Fragments1
Non HAtoms50
NonCHAtoms10
Electronegative Atoms10
StereoCenters3
Rotatable Bond5
Rings Closures9
Small Rings9
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms8
Symmetricatoms8
Amides1
StereoConunknown chirality

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