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

Formula:C40H31N5O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenylspiro[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)-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC40H31N5O2S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C40H31N5O2S/c46-39-41-40(45-36(32-18-10-11-19-37(32)47-40)26-34(43-45)29-14-6-2-7-15-29)38(48-39)24-27-20-22-31(23-21-27)44-35(30-16-8-3-9-17-30)25-33(42-44)28-12-4-1-5-13-28/h1-24,35-36H,25-26H2,(H,41,46)
InChIKLICWGNQUCUZVPX-UHFFFAOYSA-N
TotalMolweight645.785
Molweight645.785
MonoisotopicMass645.219845
CLogP9.3358
CLogS-9.129
H Acceptors7
H Donors1
TotalSurfaceArea469.18
Relative PSA0.17501
PolarSurfaceArea94.83
Druglikeness4.69
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4375
Fragments1
Non HAtoms48
NonCHAtoms8
Electronegative Atoms8
StereoCenters3
Rotatable Bond5
Rings Closures9
Small Rings9
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms8
Symmetricatoms8
Amides1
StereoConunknown chirality

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